SCHEMBL25591508

SCHEMBL25591508

Cc1cccc(NC(=O)c2nc(-c3ccc4cnn(C)c4c3)ccc2C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 4/20 0.49
▸ ATR Q13535 1/20 0.46
▸ SCN2A Q99250 2/20 0.44
▸ SCN10A Q9Y5Y9 2/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ PTGER4 P35408 3/20 0.43
▸ PIN1 Q13526 1/20 0.43
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ FLT3 P36888 2/20 0.41
▸ FLT1 P17948 2/20 0.41
▸ IRAK4 Q9NWZ3 2/20 0.41
▸ PLK4 O00444 1/20 0.41

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
SCHEMBL25593585 0.89 ATR (0.43) KDRATRMAPTKMT2APTGER4
SCHEMBL25590400 0.82 CLK2 (0.46) KDRATRSCN2ASCN10AMAPT
SCHEMBL30184009 0.80 KDM4E (0.55) KDRATRSCN2ASCN10AMAPT
SCHEMBL25590402 0.80 KDM4E (0.55) KDRATRSCN2ASCN10AMAPT
SCHEMBL25591603 0.78 ATR (0.57) KDRATRMAPTMEN1KMT2A
SCHEMBL19662769 0.76 KMT2A (0.61) MEN1KMT2ANPC1RAB9ATP53
SCHEMBL25590678 0.75 MAOB (0.45) KDRMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL18751498 0.72 NR3C1 (0.50) KDRTP53IRAK4CLK4
SCHEMBL25218898 0.71 GAA (0.55) SCN2ASCN10AMAPTMEN1KMT2A
SCHEMBL30184168 0.71 GAA (0.55) SCN2ASCN10AMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023088435-A1 PREPARATION FOR TRISUBSTITUTED PYRIDINE DERIVATIVE AND APPLICATION AS AROMATIC HYDROCARBON RECEPTOR MODULATOR 成都奥睿药业有限公司 2023-05-25 — — WO disclosed
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