SCHEMBL30808060

SCHEMBL30808060

Cc1cc2ncnc(N)c2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.53
▸ KIT P10721 2/20 0.46
▸ CDC7 O00311 7/20 0.41
▸ LIMK1 P53667 6/20 0.41
▸ DBF4 Q9UBU7 6/20 0.41
▸ PLK4 O00444 2/20 0.41
▸ AURKA O14965 2/20 0.41
▸ ROCK2 O75116 2/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ PRKACA P17612 2/20 0.41
▸ RPS6KB1 P23443 2/20 0.41
▸ CDK2 P24941 2/20 0.41
▸ MARK3 P27448 2/20 0.41
▸ FLT4 P35916 2/20 0.41
▸ KDR P35968 2/20 0.41
▸ CSNK1D P48730 2/20 0.41
▸ GSK3A P49840 2/20 0.41
▸ STK3 Q13188 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ DYRK1A Q13627 2/20 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
SCHEMBL18312205 1.00 IKBKB (0.53) IKBKBKITCDC7LIMK1DBF4
SCHEMBL14871305 0.79 KIT (0.44) IKBKBKITCDC7LIMK1DBF4
SCHEMBL4798991 0.76 KMT2A (0.50) IKBKBKITDYRK1ANPC1ALDH1A1
SCHEMBL21536748 0.76 SMN1; SMN2 (0.39) ALDH1A1HPGDHSD17B10
SCHEMBL21348213 0.73 KIT (0.40) KIT
SCHEMBL19261300 0.73 KIT (0.40) KIT
SCHEMBL4799418 0.73 ALDH1A1 (0.42) KITALDH1A1CSNK2A1STK17A
SCHEMBL16190265 0.73 KIT (0.40) KITL3MBTL1
SCHEMBL3547186 0.71 NOS1 (0.38) KITPI4KAPI4KBNOS1
SCHEMBL29565259 0.71 NCF1 (0.38) KITCDK2KDM4EPI4KAPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 — — CN claimed
CN-113039182-B Inhibitors of YAP/TAZ-TEAD interactions and their use in cancer treatment 伊文蒂瓦公司 2024-02-20 — — CN disclosed
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