SCHEMBL31256308

SCHEMBL31256308

COc1ccc(-c2nc(N)nc(C)c2C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 2/20 0.52
▸ KDM4E B2RXH2 2/20 0.52
▸ ADORA2A P29274 2/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ HRH3 Q9Y5N1 3/20 0.48
▸ HRH2 P25021 2/20 0.48
▸ PDCD1 Q15116 1/20 0.44
▸ CD274 Q9NZQ7 1/20 0.44
▸ DYRK1A Q13627 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ KPNA2 P52292 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CHRNA7 P36544 1/20 0.41
▸ DHFR P00374 1/20 0.41
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL28265661 0.76 ADORA1 (0.55) ADORA1KDM4EADORA2AKMT2AHRH3
SCHEMBL4416122 0.73 ADORA1 (0.59) ADORA1KDM4EADORA2AKMT2AHRH3
SCHEMBL28957216 0.71 LMNA (0.44) KDM4EKMT2AMAPTHPGDGAA
SCHEMBL14358933 0.70 HEXA (0.65) ADORA1KDM4EDYRK1AALDH1A1MAPT
SCHEMBL12495753 0.70 HRH3 (0.63) ADORA1ADORA2AKMT2AHRH3HRH2
SCHEMBL10508211 0.69 ALDH1A1 (0.60) ADORA1KDM4EKMT2AALDH1A1MAPT
SCHEMBL979446 0.69 ADORA1 (0.67) ADORA1KDM4EADORA2AKMT2AHRH3
SCHEMBL30412772 0.69 ADORA1 (0.67) ADORA1KDM4EADORA2AKMT2AHRH3
SCHEMBL31339965 0.69 KMT2A (0.71) ADORA1KDM4EADORA2AKMT2AHRH3
SCHEMBL1892740 0.69 ADORA2A (0.59) ADORA1KDM4EADORA2AKMT2AHRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4716531-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS Board of Regents, The University of Texas System (US) 2026-04-01 — — EP disclosed
WO-2024243186-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-11-28 — — WO disclosed
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