SCHEMBL24625441

SCHEMBL24625441

Cc1nc(NCc2cccc(C(F)(F)F)c2C)c2cc(C)c(F)cc2n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 10/20 0.38
▸ KRAS P01116 9/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CD38 P28907 2/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ CYP3A4 P08684 1/20 0.36
▸ P2RX7 Q99572 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ USP1 O94782 1/20 0.35
▸ WDR48 Q8TAF3 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35

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
SCHEMBL24625447 0.88 SOS1 (0.37) SOS1KRASLMNACD38EGFR
SCHEMBL24625149 0.86 SOS1 (0.46) SOS1KRASLMNAKMT2AEGFR
SCHEMBL24625384 0.86 SOS1 (0.37) SOS1KRASLMNACD38EGFR
SCHEMBL24625607 0.84 SOS1 (0.41) SOS1KRASLMNACD38EGFR
SCHEMBL24625393 0.81 EGFR (0.40) SOS1KRASLMNACD38EGFR
SCHEMBL24625210 0.81 CD38 (0.36) SOS1KRASLMNACD38EGFR
SCHEMBL24625534 0.81 PIK3C2B (0.37) SOS1KRASLMNACD38EGFR
SCHEMBL25020745 0.80 SOS1 (0.40) SOS1KRASCD38CYP3A4P2RX7
SCHEMBL24602837 0.80 SOS1 (0.44) SOS1KRASLMNAEGFRUSP1
SCHEMBL24625163 0.79 EGFR (0.39) SOS1KRASLMNACD38EGFR

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-2022148442-A1 6-SUBSTITUTED PHOSPHORYL QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-07-14 — — WO disclosed
Send feedback