SCHEMBL30875683

SCHEMBL30875683

COc1ccc(COc2ccc(Nc3nc(Cl)ncc3Cl)c(P(C)C)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 2/20 0.38
▸ MAPK8 P45983 1/20 0.38
▸ MAPK9 P45984 1/20 0.37
▸ MAPK3 P27361 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ MAOB P27338 3/20 0.35
▸ APP P05067 3/20 0.35
▸ EGFR P00533 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ SMPD1 P17405 1/20 0.35
▸ KDR P35968 1/20 0.34

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
SCHEMBL25947466 0.86 MAPT (0.43) MAPK10MAPK8MAPK9NPC1RAB9A
SCHEMBL30183996 0.82 ALK (0.46) ALKEGFR
SCHEMBL25338974 0.82 ALK (0.46) ALKEGFR
Phosphine SCHEMBL25950598 0.76 ALK (0.42) NPC1RAB9AALKEGFRKDR
SCHEMBL25947566 0.76 PRKDC (0.44) MAPK3NPC1RAB9AALKKDR
SCHEMBL25449059 0.76 MAPK3 (0.41) MAPK3NPC1ALKEGFR
SCHEMBL23153915 0.75 LRRK2 (0.35) MAPK3NPC1RAB9AALKEGFR
SCHEMBL2061300 0.74 GAA (0.60) NPC1ALKEGFRTDP1
SCHEMBL10071317 0.73 EGFR (0.51) MAPK10MAPK8MAPK9MAPK3ALK
SCHEMBL30875693 0.72 ALK (0.47) ALKEGFR

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
CN-117730083-A Pyrimidine compounds as MAP4K1 inhibitors 格兰马克专业公司 2024-03-19 — — CN disclosed
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