SCHEMBL26889157

SCHEMBL26889157

Clc1ccnc2[nH]c(CNc3ccccc3)cc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.41
▸ PRKCI P41743 1/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.41
▸ MAOA P21397 2/20 0.41
▸ MAOB P27338 2/20 0.41
▸ NUDT1 P36639 1/20 0.40
▸ CDK9 P50750 3/20 0.40
▸ CCNT1 O60563 2/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ NISCH Q9Y2I1 1/20 0.37
▸ CDC7 O00311 1/20 0.36
▸ PIM1 P11309 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CCNK O75909 1/20 0.36
▸ CDK12 Q9NYV4 1/20 0.36

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
SCHEMBL26686466 0.79 CCNK (0.54) AXLPRKCINUDT1CDK9AURKA
SCHEMBL3492132 0.78 KDR (0.50) NUDT1AURKAAURKBDAOCCNK
SCHEMBL26889101 0.77 AXL (0.40) AXLPRKCINUDT1CDK9AURKA
SCHEMBL30571033 0.75 AXL (0.44) AXLPRKCINUDT1CDK9AURKA
SCHEMBL21429079 0.75 NUDT1 (0.59) AXLPRKCINUDT1CDK9AURKA
SCHEMBL31420473 0.75 NUDT1 (0.59) AXLPRKCINUDT1CDK9AURKA
SCHEMBL3415919 0.75 AXL (0.44) AXLPRKCINUDT1CDK9AURKA
SCHEMBL31240636 0.74 CDK9 (0.40) MAOAMAOBCDK9CCNT1CDC7
SCHEMBL21428737 0.72 KDM5A (0.42) AXLPRKCIMAOANUDT1CDK9
SCHEMBL30716680 0.72 KDM5A (0.42) AXLPRKCIMAOANUDT1CDK9

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-2023218201-A1 IKK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2023-11-16 — — WO disclosed
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