SCHEMBL29277331

SCHEMBL29277331

[CH2]Cc1cc(Cl)c2c(ccn2C)c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.37
MAOB P27338 1/20 0.31
PRKCI P41743 1/20 0.30

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
SCHEMBL18876129 0.84 GRM2 (0.37) GRM2PRKCI
SCHEMBL18876176 0.76 KDM4E (0.38) GRM2MAOBPRKCI
SCHEMBL21725647 0.74 GRM2 (0.37) GRM2MAOBPRKCI
SCHEMBL18876179 0.70 GRM2 (0.35) GRM2PRKCI
SCHEMBL18876187 0.70 CYP19A1 (0.33) GRM2PRKCI
SCHEMBL25183109 0.69 PRKCI (0.53) MAOBPRKCI
SCHEMBL27584224 0.68 ADRA1A (0.37) GRM2
SCHEMBL6427899 0.68 GRM2 (0.32) GRM2
SCHEMBL7920908 0.68 TTR (0.44) MAOB
SCHEMBL837711 0.66 PRMT5 (0.43)

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
CN-117279933-A Cyclic compounds having selective KRAS inhibition relative to HRAS and NRAS 中外制药株式会社 2023-12-22 CN disclosed