SCHEMBL31728134

SCHEMBL31728134

NC(=O)c1nc(N2CC3(CCC3)CC2=O)nc(-c2ccc(F)c(Cl)c2F)c1N

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 17/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ GRM4 Q14833 1/20 0.35
▸ SSTR5 P35346 1/20 0.32

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
SCHEMBL31728518 0.93 GRM5 (0.37) PTPN11GRM5GRM4SSTR5
SCHEMBL31729003 0.78 GRM5 (0.36) GRM5SSTR5
SCHEMBL31728909 0.64 PTPN11 (0.32) PTPN11
SCHEMBL31728797 0.62 KDM4E (0.43) PTPN11
SCHEMBL31728947 0.59 TARBP2 (0.40) —
SCHEMBL6167288 0.54 TDP1 (0.44) —
SCHEMBL12235127 0.54 GRM5 (0.70) GRM5GRM4
SCHEMBL26762244 0.54 GRM2 (0.32) —
SCHEMBL5802725 0.53 DGAT1 (0.46) —
SCHEMBL16075495 0.52 ALDH1A1 (0.40) —

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-2025235874-A1 HETEROCYCLICS AS EGFR INHIBITORS SCHRÖDINGER, INC. (US) 2025-11-13 — — WO disclosed
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