SCHEMBL29544955

SCHEMBL29544955

CNc1cc2c(-c3nn4c(c3Nc3cccc(Cl)c3OC)C(=O)NCC4)ccnc2cc1OC

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.39
CSF1R P07333 7/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
SRC P12931 2/20 0.35
TYK2 P29597 5/20 0.34
LCK P06239 1/20 0.33
MET P08581 1/20 0.33
KDR P35968 1/20 0.33
TEK Q02763 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL29545142 0.94 CSF1R (0.39) EGFRCSF1RCCNT1CDK9SRC
SCHEMBL29544981 0.93 EGFR (0.36) EGFRCSF1RCCNT1CDK9SRC
SCHEMBL29545092 0.92 EGFR (0.39) EGFRCSF1RCCNT1CDK9SRC
SCHEMBL29544572 0.91 EGFR (0.40) EGFRCSF1RCCNT1CDK9TYK2
SCHEMBL29544750 0.89 EGFR (0.40) EGFRCSF1RKDR
SCHEMBL29544780 0.88 EGFR (0.36) EGFRCSF1RCCNT1CDK9TYK2
SCHEMBL29544781 0.86 CCNT1 (0.34) EGFRCSF1RCCNT1CDK9TYK2
SCHEMBL29544735 0.86 CCNT1 (0.34) EGFRCCNT1CDK9TYK2
SCHEMBL29544407 0.86 CCNT1 (0.34) EGFRCSF1RCCNT1CDK9TYK2
SCHEMBL29544652 0.84 NCF1 (0.36) EGFRCSF1RCCNT1CDK9SRC

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