SCHEMBL23630368

SCHEMBL23630368

N#Cc1c(N2CCC(c3ccc(C(F)(F)F)cc3)CC2)n[nH]c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKACA P17612 1/20 0.53
▸ PRKACG P22612 1/20 0.53
▸ PRKACB P22694 1/20 0.53
▸ RXFP1 Q9HBX9 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ HTR2C P28335 2/20 0.41
▸ AOC3 Q16853 2/20 0.39
▸ RPS6KB1 P23443 3/20 0.39
▸ KIT P10721 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ BRCA1 P38398 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GRM2 Q14416 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 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
SCHEMBL23630313 0.85 PRKACA (0.57) PRKACAPRKACGPRKACBRXFP1AOC3
SCHEMBL23630334 0.83 PRKACA (0.58) PRKACAPRKACGPRKACBRXFP1NPC1
SCHEMBL23630397 0.72 AOC3 (0.38) RXFP1NPC1RAB9AHTR2CAOC3
SCHEMBL9933248 0.71 PRKACA (1.00) PRKACAPRKACGPRKACBRXFP1NPC1
SCHEMBL23630439 0.70 GRM2 (0.38) RXFP1NPC1RAB9AHTR2CAOC3
SCHEMBL16447505 0.70 CYP3A4 (0.56) HTR2CAOC3KDM4EP2RY14TP53
SCHEMBL13717673 0.70 PRKACA (0.97) PRKACAPRKACGPRKACBRXFP1NPC1
SCHEMBL10925763 0.69 MYC (0.48) RXFP1NPC1RAB9AMEN1ALDH1A1
SCHEMBL1440040 0.68 PRKACA (0.73) PRKACAPRKACGPRKACBRXFP1NPC1
SCHEMBL23630395 0.66 PRKACA (0.57) PRKACAPRKACGPRKACB

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
WO-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 — — WO disclosed
WO-2021142420-A1 PYRAZOLO[1,5-a]PYRIMIDIN-7(4H)-ONE INHIBITORS OF DYNEIN KAPOOR TARUN M (US) 2021-07-15 — — WO disclosed
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