SCHEMBL6176676

SCHEMBL6176676

O=C(Cc1ccccc1Cl)Nc1n[nH]c(-c2ccc(F)cc2)c1-c1ccncc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.76
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
MAPK3 P27361 1/20 0.41
MAPK1 P28482 1/20 0.41
P2RX7 Q99572 1/20 0.41
CDK1 P06493 1/20 0.41
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CLK2 P49760 1/20 0.40
PRKX P51817 1/20 0.40
CAMK2D Q13557 1/20 0.40
PKN2 Q16513 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
STK17A Q9UEE5 1/20 0.40

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
SCHEMBL6177628 0.91 MAPK14 (0.77) MAPK14CDK2RAB9AALDH1A1MEN1
SCHEMBL6175320 0.89 MAPK14 (0.74) MAPK14RAB9AMEN1KMT2APRKACA
SCHEMBL6193971 0.87 MAPK14 (0.72) MAPK14MEN1KMT2AROCK1
SCHEMBL6177800 0.86 MAPK14 (1.00) MAPK14CDK2ALDH1A1PRKACAROCK1
SCHEMBL6178765 0.86 MAPK14 (0.71) MAPK14RAB9ANPC1ALDH1A1MEN1
SCHEMBL6178962 0.85 MAPK14 (0.89) MAPK14CDK1CDK4CDK2KMT2A
SCHEMBL6180514 0.85 MAPK14 (0.89) MAPK14CDK1CDK4CDK2ALDH1A1
SCHEMBL6176420 0.84 MAPK14 (0.81) MAPK14MAPK1CDK1CDK2RAB9A
SCHEMBL6178699 0.84 MAPK14 (0.73) MAPK14CDK1CDK4CDK2MEN1
SCHEMBL6176666 0.84 MAPK14 (0.76) MAPK14RAB9AALDH1A1MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142890-B1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG CO LTD (JP) 2005-08-03 EP disclosed
US-6511997-B1 For treatment of a disease associated with tumor necrosis factor alpha, interleukin 1, interleukin 6 or cyclooxygenase II; such as irritable bowel disease TEIKOKU HORMONE MFG. CO., LTD. (JP) 2003-01-28 US disclosed
EP-1142890-A1 AMINOPYRAZOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 2001-10-10 EP disclosed