SCHEMBL31052685

SCHEMBL31052685

CN(CCC#N)c1cccc(N)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ HRH3 Q9Y5N1 2/20 0.38
▸ NOS2 P35228 3/20 0.38
▸ NOS1 P29475 3/20 0.38
▸ NOS3 P29474 2/20 0.36
▸ IRAK1 P51617 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GRK6 P43250 1/20 0.34
▸ NMT1 P30419 2/20 0.34

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
SCHEMBL29736634 0.80 HRH3 (0.59) HRH3NOS2NOS1NOS3
SCHEMBL23104383 0.80 HRH3 (0.59) HRH3NOS2NOS1NOS3
SCHEMBL31052452 0.75 PKM (0.35) KDM4ERXFP1IRAK1IRAK4ALDH1A1
SCHEMBL10490484 0.74 HRH3 (0.42) KDM4EHRH3NOS2NOS1NOS3
SCHEMBL7295476 0.73 ALDH1A1 (0.50) KDM4EALDH1A1KMT2ALMNATSHR
SCHEMBL2791734 0.71 HCAR3 (0.38) KDM4ERXFP1HRH3IRAK1IRAK4
SCHEMBL29907766 0.70 NOS3 (0.50) KDM4ENOS2NOS1NOS3ALDH1A1
SCHEMBL1097604 0.70 NOS3 (0.50) KDM4ENOS2NOS1NOS3ALDH1A1
Hydrochloric Acid SCHEMBL3335648 0.69 NOS3 (0.48) KDM4ENOS2NOS1NOS3ALDH1A1
SCHEMBL14511097 0.68 ALDH1A1 (0.36) KDM4ERXFP1ALDH1A1KMT2ALMNA

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-4676923-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE AS PKMYT1 INHIBITORS Cancer Research Technology Limited (GB) 2026-01-14 — — EP disclosed
WO-2024184550-A1 BIARYLAMIDE DERIVATIVES AND THEIR USE AS PKMYT1 INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-09-12 — — WO disclosed
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