SCHEMBL21029480

SCHEMBL21029480

C/C=N\NCc1cc(C)cnc1N(C)Cc1ccc(C)cc1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CSF1R P07333 4/20 0.36
▸ EGFR P00533 1/20 0.36
▸ LMNA P02545 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ BRD4 O60885 1/20 0.31

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
SCHEMBL11564854 0.71 TRPM8 (0.44) CSF1REGFRLMNATP53ALDH1A1
SCHEMBL13663832 0.69 MEN1 (0.44) LMNAALDH1A1
SCHEMBL11564050 0.62 LMNA (0.43) CSF1REGFRLMNATP53ALDH1A1
SCHEMBL22360336 0.58 ALDH1A1 (0.43) ALDH1A1
SCHEMBL13530809 0.57 CSF1R (0.40) CSF1REGFRLMNATP53ALDH1A1
SCHEMBL15079442 0.57 CYP2C19 (0.52) ALDH1A1
SCHEMBL4402952 0.57 CYP2C19 (0.52) ALDH1A1
SCHEMBL11563487 0.55 CSF1R (0.43) CSF1REGFRLMNATP53ALDH1A1
SCHEMBL11568099 0.55 KDM4E (0.41) LMNAALDH1A1
SCHEMBL21209779 0.55 MAPT (0.52) ALDH1A1

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
EP-3489238-A1 PHARMACEUTICAL COMPOSITIONS OF 6H-PYRIDO[3,2-E][1,2,4]TRIAZOLO[1,5-C]PYRIMIDIN-5-ONE AND [1,2,4]TRIAZOLO[1,5-C]PTERIDIN-5(6H)-ONE DERIVATIVES AS PDE1 INHIBITORS FOR TREATING E.G. NEUROLOGICAL DISORDERS Dart NeuroScience (Cayman) Ltd (KY) 2019-05-29 — — EP disclosed
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