SCHEMBL30567544

SCHEMBL30567544

NC(=O)c1cc(C2=CCNCC2)cc2cn[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLK4 O00444 1/20 0.44
▸ CHEK1 O14757 1/20 0.44
▸ AURKA O14965 1/20 0.44
▸ DAPK3 O43293 1/20 0.44
▸ MAP4K4 O95819 1/20 0.44
▸ CSF1R P07333 1/20 0.44
▸ RET P07949 1/20 0.44
▸ FGFR1 P11362 1/20 0.44
▸ PDGFRA P16234 1/20 0.44
▸ LTK P29376 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ MAP2K2 P36507 1/20 0.44
▸ FLT3 P36888 1/20 0.44
▸ CSNK1A1 P48729 1/20 0.44
▸ PRKX P51817 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ MAP2K1 Q02750 1/20 0.44
▸ MST1R Q04912 1/20 0.44
▸ PTK2 Q05397 1/20 0.44
▸ BTK Q06187 1/20 0.44

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
Hydrochloric Acid SCHEMBL29267957 0.99 PLK4 (0.43) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL30567530 0.79 PLK4 (0.42) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL30567535 0.78 SCN9A (0.41) SCN9AQDPRFTOSIGMAR1CCNT1
SCHEMBL30567526 0.78 SCN9A (0.41) SCN9AQDPRFTOSIGMAR1CCNT1
SCHEMBL30853370 0.73 CCNT1 (0.44) SCN9AQDPRCCNT1CDK9PIK3CD
SCHEMBL27698209 0.72 IKBKB (0.61) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL24597173 0.72 SOS1 (0.45) ROCK1SCN9AFTOCCNT1CDK9
SCHEMBL1421939 0.70 BTK (0.58) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL20487617 0.68 BTK (0.57) PLK4CHEK1AURKADAPK3MAP4K4
SCHEMBL23185496 0.68 BTK (0.57) PLK4CHEK1AURKADAPK3MAP4K4

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-116916914-A SOS1 inhibitors and uses thereof 锐新医药公司 2023-10-20 — — CN disclosed
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