SCHEMBL31728859

SCHEMBL31728859

Cc1c(Cl)cccc1-c1cc(C(=O)N2CCC2)cc2c(N)ncnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 2/20 0.41
▸ HPGD P15428 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD11B1 P28845 2/20 0.40
▸ CCNC P24863 1/20 0.40
▸ CDK8 P49336 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ NR1H2 P55055 2/20 0.39
▸ NR1H3 Q13133 2/20 0.39
▸ PLA2G7 Q13093 2/20 0.39
▸ PDK2 Q15119 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRG2 P18507 1/20 0.37
▸ GABRB3 P28472 1/20 0.37
▸ GABRA5 P31644 1/20 0.37
▸ GABRA3 P34903 1/20 0.37
▸ GABRA2 P47869 1/20 0.37
▸ GABRB2 P47870 1/20 0.37

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
SCHEMBL31728623 0.76 SMN1; SMN2 (0.39) MAP4K4ALDH1A1SMN1; SMN2RET
SCHEMBL31729236 0.69 HTR2C (0.43) MAP4K4HPGDBTKNPC1RAB9A
SCHEMBL31729250 0.69 LRRK2 (0.40) MAP4K4
SCHEMBL31727998 0.67 MAP4K4 (0.49) MAP4K4
SCHEMBL29828939 0.67 MAP4K4 (0.51) MAP4K4HPGDMAPTSMN1; SMN2
SCHEMBL31727897 0.66 LIMK1 (0.36) MAP4K4HPGDALDH1A1MAPTNPC1
SCHEMBL29829109 0.66 MAP4K4 (0.50) MAP4K4HPGDMAPTSMN1; SMN2GLA
SCHEMBL31729240 0.65 PIK3CD (0.37) ALDH1A1
SCHEMBL31727873 0.63 SMN1; SMN2 (0.40) MAP4K4SMN1; SMN2
SCHEMBL31728766 0.63 PIK3CD (0.38) ALDH1A1RET

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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