SCHEMBL31600611

SCHEMBL31600611

COc1nc2nn(C)cc2cc1N

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NSD2 O96028 1/20 0.39
ADORA1 P30542 5/20 0.37
ADORA2A P29274 4/20 0.37
ADORA3 P0DMS8 3/20 0.35
PIK3CA P42336 2/20 0.33
CASP1 P29466 1/20 0.33
AURKA O14965 1/20 0.32
TTK P33981 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
ADCY10 Q96PN6 1/20 0.30
PIK3CD O00329 1/20 0.30
PIK3CG P48736 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 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
Hydrochloric Acid SCHEMBL31600295 0.98 MAPT (0.38) MAPTALDH1A1KDM4ENSD2ADORA1
SCHEMBL31600817 0.82 ADORA2A (0.38) MAPTALDH1A1KDM4ENSD2ADORA1
Hydrochloric Acid SCHEMBL31600106 0.81 ADORA2A (0.37) MAPTALDH1A1KDM4ENSD2ADORA1
SCHEMBL31210876 0.79 AXL (0.36) MAPTALDH1A1KDM4ENSD2ADORA1
SCHEMBL31600644 0.77 ALDH1A1 (0.42) MAPTALDH1A1KDM4ENSD2ADORA1
Hydrochloric Acid SCHEMBL31600476 0.75 ALDH1A1 (0.41) MAPTALDH1A1KDM4ENSD2ADORA1
SCHEMBL2182645 0.73
Hydrochloric Acid SCHEMBL18662690 0.71 ADORA2A (0.36) MAPTALDH1A1KDM4ENSD2ADORA1
Hydrochloric Acid SCHEMBL16714643 0.71 ADORA2A (0.36) MAPTALDH1A1KDM4ENSD2ADORA1
SCHEMBL20377846 0.70 ALDH1A1 (0.37) MAPTALDH1A1KDM4ENSD2ADORA1

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-2025111547-A1 2,3-DIHYDROPYROLLOPYRIDINE CARBOXAMIDE COMPOUNDS AND METHODS OF USE THEREOF RGENTA THERAPEUTICS, INC. (US) 2025-05-30 WO disclosed