SCHEMBL29544635

SCHEMBL29544635

COc1cc2nccc(-c3nn4c(c3Cl)C(=O)NC[C@@H]4C)c2cc1OC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.38
SRC P12931 4/20 0.35
PRKDC P78527 1/20 0.35
ERBB2 P04626 1/20 0.35
PDGFRA P16234 2/20 0.34
PDGFRB P09619 1/20 0.34
TGFBR1 P36897 2/20 0.34
MET P08581 1/20 0.34
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
ACVR1 Q04771 2/20 0.33
EHMT2 Q96KQ7 1/20 0.33
EHMT1 Q9H9B1 1/20 0.33
EGFR P00533 1/20 0.33

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
SCHEMBL29544676 1.00 NCF1 (0.38) NCF1SRCPRKDCERBB2PDGFRA
SCHEMBL29544629 0.87 NCF1 (0.39) NCF1ACVR1
SCHEMBL29545540 0.87 NCF1 (0.39) NCF1ACVR1
SCHEMBL29544338 0.87 GRM2 (0.36)
SCHEMBL29544372 0.87 GRM2 (0.36)
SCHEMBL29544776 0.82 CSF1R (0.38) SRCERBB2PDGFRAKDRACVR1
SCHEMBL29545067 0.82 CSF1R (0.38) SRCERBB2PDGFRAKDRACVR1
SCHEMBL29544467 0.82 CSF1R (0.38) SRCERBB2PDGFRAKDRACVR1
SCHEMBL29545124 0.77 USP7 (0.35) ACVR1
SCHEMBL29544665 0.77 USP7 (0.35) ACVR1

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-2022072634-A1 BICYCLIC COMPOUNDS FOR USE IN THE TREATMENT CANCER SCORPION THERAPEUTICS, INC. (US) 2022-04-07 WO disclosed