SCHEMBL5686015

SCHEMBL5686015

O=C(O)c1ccccc1Nc1nc(Nc2ccccc2C(=O)O)nc(Nc2ccccc2C(=O)O)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.66
CDC7 O00311 2/20 0.61
DAPK3 O43293 2/20 0.61
PIM1 P11309 2/20 0.61
CDK2 P24941 2/20 0.61
FLT3 P36888 2/20 0.61
GSK3B P49841 2/20 0.61
CDK9 P50750 2/20 0.61
CDK5 Q00535 2/20 0.61
DYRK1A Q13627 2/20 0.61
MELK Q14680 2/20 0.61
HIPK2 Q9H2X6 2/20 0.61
STK17A Q9UEE5 2/20 0.61
PAK4 O96013 1/20 0.61
MINK1 Q8N4C8 1/20 0.61
FABP4 P15090 2/20 0.61
TAS2R14 Q9NYV8 2/20 0.59
FABP3 P05413 1/20 0.58
FABP5 Q01469 1/20 0.58
MAPK8 P45983 4/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29603638 1.00 AURKA (0.66) AURKACDC7DAPK3PIM1CDK2
SCHEMBL14008602 0.93 AURKA (0.59) AURKACDC7DAPK3PIM1CDK2
SCHEMBL21925300 0.89 AURKA (0.59) AURKACDC7DAPK3PIM1CDK2
SCHEMBL9698720 0.88 CDC7 (0.58) AURKACDC7DAPK3PIM1CDK2
SCHEMBL20481871 0.88 AURKA (0.57) AURKACDC7DAPK3PIM1CDK2
SCHEMBL4104554 0.88 TSHR (0.59) AURKACDC7DAPK3PIM1CDK2
SCHEMBL3882260 0.86 MEN1 (0.65) AURKACDC7DAPK3PIM1CDK2
SCHEMBL355549 0.85 FABP4 (0.80) FABP4TAS2R14FABP3FABP5KDM4E
SCHEMBL30320327 0.85 FABP4 (0.80) FABP4TAS2R14FABP3FABP5KDM4E
SCHEMBL4191649 0.85 AURKA (0.71) AURKACDC7DAPK3PIM1CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1013262-B1 Cosmetic and dermatologic o/w-emulsions containing boron nitride BEIERSDORF AG (DE) 2006-11-29 EP claimed
EP-1013263-B1 Cosmetic and dermatologic W/O-emulsion containing boron nitride BEIERSDORF AG (DE) 2006-04-05 EP claimed
WO-2020209118-A1 REVERSIBLY THERMOCHROMIC AQUEOUS INK COMPOSITION FOR WRITING UTENSILS, AND REFILL AND WATER-BASED BALLPOINT PEN EACH INTERNALLY CONTAINING SAME 株式会社パイロットコーポレーション 2020-10-15 WO disclosed
WO-2020203603-A1 REVERSIBLE THERMOCHROMIC COMPOSITION, REVERSIBLE THERMOCHROMIC MICROCAPSULE PIGMENT COMPRISING SAME, AND WRITING INSTRUMENT USING SAME パイロットインキ株式会社 2020-10-08 WO disclosed
WO-2015139782-A1 COATED TITANIUM DIOXIDE TO REDUCE THE WHITENING EFFECT ON SKIN SYMRISE AG (DE) 2015-09-24 WO disclosed
EP-1179435-B1 Reversible thermochromic composition having improved light-fastness and product comprising same PILOT INK CO LTD (JP) 2006-11-29 EP disclosed
US-6638620-B2 Discoloration sensitivity THE PILOT INK CO., LTD. (JP) 2003-10-28 US disclosed
EP-1179435-A1 Reversible thermochromic composition having improved light-fastness and product comprising same The Pilot Ink Co., Ltd. (JP) 2002-02-13 EP disclosed