SCHEMBL22201451

SCHEMBL22201451

CN(c1cccc(F)c1)c1nc(-c2ccncc2)cc2ncccc12

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.56
SYK P43405 13/20 0.55
PRKCH P24723 1/20 0.43
PRKCE Q02156 1/20 0.43
GRM1 Q13255 1/20 0.40
GBA1 P04062 1/20 0.40
PDE5A O76074 2/20 0.40

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
SCHEMBL22201660 0.84 SYK (0.47) ABCG2SYKPRKCHPRKCEGBA1
SCHEMBL22201623 0.80 ABCG2 (0.86) ABCG2GBA1PDE5A
SCHEMBL22201712 0.80 SYK (0.52) SYKPRKCHPRKCE
SCHEMBL22201369 0.73 LMNA (0.63) ABCG2SYKPRKCHPRKCE
SCHEMBL373789 0.71 SYK (1.00) SYK
SCHEMBL6000218 0.70 ABCG2 (0.46) ABCG2GRM1
SCHEMBL11379518 0.68 SYK (0.68) SYKPRKCHPRKCE
SCHEMBL22201437 0.68 PRKCH (0.56) SYKPRKCHPRKCE
SCHEMBL29909222 0.65 CSF1R (0.58) ABCG2
SCHEMBL27116411 0.65 KMO (0.44) ABCG2GRM1

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-2020142748-A1 METHODS AND MATERIALS FOR INCREASING TRANSCRIPTION FACTOR EB POLYPEPTIDE LEVELS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2020-07-09 WO disclosed