SCHEMBL7038860

SCHEMBL7038860

NCCc1nc(-c2ccc(F)cc2)c2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAD51 Q06609 7/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ KDM4E B2RXH2 4/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ MAPT P10636 2/20 0.48
▸ EGFR P00533 1/20 0.39
▸ RAF1 P04049 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ MAP2K3 P46734 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ FLT3 P36888 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL31215212 0.74 HIF1A (0.55) RAD51ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18031313 0.72 RAD51 (0.41) RAD51ALDH1A1KDM4EMEN1KMT2A
SCHEMBL31612337 0.72 RAD51 (0.72) RAD51ALDH1A1KDM4EMAPTMAPK14
SCHEMBL14143168 0.71 ALDH1A1 (0.58) RAD51ALDH1A1KDM4EMEN1KMT2A
SCHEMBL4326394 0.71 RORC (0.57) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL6362818 0.70 MAPT (0.46) RAD51ALDH1A1KDM4EMEN1KMT2A
SCHEMBL18031314 0.69 MAP2K3 (0.54) RAD51ALDH1A1KDM4EMEN1KMT2A
SCHEMBL31214662 0.69 KDM4E (0.53) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL31215208 0.69 HIF1A (0.64) RAD51ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6039844 0.68 KDM4E (0.46) RAD51ALDH1A1KDM4EMEN1KMT2A

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-2004058755-A2 COMPOUND LIBRARIES OF IMIDAZO[1,5-A]PYRIDIN-3-YL DERIVATIVES AND RELATED HETEROBICYCLES FOR TARGETTING COMPOUNDS CAPABLE OF BINDING TO G-PROTEIN COUPLED RECEPTORS BIOFOCUS PLC (GB) 2004-07-15 — — WO disclosed
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