SCHEMBL24625534

SCHEMBL24625534

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

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2B O00750 1/20 0.37
▸ SOS1 Q07889 13/20 0.37
▸ KRAS P01116 12/20 0.37
▸ P2RX7 Q99572 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ EGFR P00533 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CD38 P28907 1/20 0.34
▸ TRPV1 Q8NER1 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
SCHEMBL24625447 0.88 SOS1 (0.37) PIK3C2BSOS1KRASP2RX7LMNA
SCHEMBL24625531 0.87 CD38 (0.35) SOS1KRASP2RX7LMNAEGFR
SCHEMBL24625416 0.86 EGFR (0.49) LMNAEGFRTSHRHTTCYP3A4
SCHEMBL24625394 0.85 SOS1 (0.40) SOS1KRASCYP3A4CD38
SCHEMBL24625613 0.84 CD38 (0.47) PIK3C2BSOS1P2RX7CYP3A4CD38
SCHEMBL24625311 0.83 CD38 (0.37) PIK3C2BSOS1P2RX7LMNAEGFR
SCHEMBL24625210 0.82 CD38 (0.36) PIK3C2BSOS1KRASP2RX7LMNA
SCHEMBL24625163 0.81 EGFR (0.39) SOS1KRASP2RX7LMNAEGFR
SCHEMBL24625393 0.81 EGFR (0.40) PIK3C2BSOS1KRASP2RX7LMNA
SCHEMBL24625607 0.80 SOS1 (0.41) SOS1KRASP2RX7LMNAEGFR

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
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