SCHEMBL31060624

SCHEMBL31060624

c1ccc(Nc2ccnc(NC3CCCCC3)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.66
▸ AURKA O14965 3/20 0.62
▸ CHEK1 O14757 1/20 0.62
▸ IKBKB O14920 1/20 0.62
▸ NPC1 O15118 1/20 0.62
▸ PDPK1 O15530 1/20 0.62
▸ CHEK2 O96017 1/20 0.62
▸ PRKCG P05129 1/20 0.62
▸ CDK1 P06493 1/20 0.62
▸ LYN P07948 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ KIT P10721 1/20 0.62
▸ PIM1 P11309 1/20 0.62
▸ FGFR1 P11362 1/20 0.62
▸ FGFR3 P22607 1/20 0.62
▸ RPS6KB1 P23443 1/20 0.62
▸ CDK2 P24941 1/20 0.62
▸ MARK3 P27448 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ EPHA2 P29317 1/20 0.62

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
SCHEMBL29695715 0.89 AURKB (0.66) MAPK8AURKACHEK1IKBKBNPC1
SCHEMBL29695718 0.87 AURKA (0.64) MAPK8AURKACHEK1IKBKBNPC1
SCHEMBL28392412 0.82 MAPK8 (0.51) MAPK8AURKACHEK1IKBKBNPC1
SCHEMBL27109893 0.79 GPR39 (0.58) MAPK8CDK1CDK2KDM4EGAA
SCHEMBL440486 0.78 AURKA (1.00) MAPK8AURKACHEK1IKBKBNPC1
SCHEMBL25607003 0.77 GPR39 (0.56) MAPK8CDK1CDK2KDM4EGAA
SCHEMBL14537547 0.76 MAPK8 (0.47) MAPK8AURKACDK1CDK2KDM4E
SCHEMBL1033751 0.75 CTSK (0.60) MAPK8CHEK1IKBKBPRKCGCDK1
SCHEMBL18920813 0.75 CTSK (0.60) MAPK8CHEK1IKBKBPRKCGCDK1
SCHEMBL14024765 0.75 CDC7 (0.57) MAPK8AURKACDK1CDK2KDM4E

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
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 — — EP disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 — — WO disclosed
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