SCHEMBL22675996

SCHEMBL22675996

COc1ccc(-c2c(C)n(C)c3ncnc(N)c23)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 8/20 0.53
▸ KDR P35968 8/20 0.53
▸ ABL1 P00519 5/20 0.53
▸ EGFR P00533 3/20 0.53
▸ ABL2 P42684 2/20 0.53
▸ TEK Q02763 6/20 0.52
▸ PI4KB Q9UBF8 2/20 0.52
▸ HCK P08631 2/20 0.52
▸ PIK3CD O00329 1/20 0.52
▸ PIK3CA P42336 1/20 0.52
▸ PIK3CB P42338 1/20 0.52
▸ MTOR P42345 1/20 0.52
▸ PIK3CG P48736 1/20 0.52
▸ EPHB4 P54760 1/20 0.52
▸ PRKDC P78527 1/20 0.52
▸ LCK P06239 2/20 0.50
▸ RIPK2 O43353 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL29407669 0.85 SRC (0.52) SRCKDRABL1EGFRABL2
SCHEMBL22658699 0.85 SRC (0.52) SRCKDRABL1EGFRABL2
SCHEMBL22677178 0.81 KDR (0.47) SRCKDRABL1EGFRTEK
SCHEMBL24458853 0.80 RET (0.47) SRCKDRABL1EGFRPI4KB
SCHEMBL22676745 0.74 SRC (0.67) SRCKDRABL1EGFRABL2
SCHEMBL5506725 0.74 ADORA2A (0.70) SRCKDRABL1EGFRABL2
SCHEMBL130752 0.74 NUDT14 (0.74) SRCKDRABL1EGFRTEK
SCHEMBL25129546 0.73 BTK (0.44) KDRABL1TEKPRKDCLCK
SCHEMBL30582549 0.73 RIPK2 (0.49) SRCKDRABL1EGFRABL2
SCHEMBL26107090 0.73 RIPK2 (0.49) SRCKDRABL1EGFRABL2

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-2020231990-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. (US) 2020-11-19 — — WO disclosed
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