SCHEMBL28616645

SCHEMBL28616645

Nc1ccc2ccn(-c3cc(C(N)N)cc(C(N)N)c3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.40
MAPT P10636 1/20 0.38
CDC7 O00311 11/20 0.37
CDK2 P24941 9/20 0.37
BRPF1 P55201 1/20 0.37
ROCK1 Q13464 3/20 0.33
MAP3K14 Q99558 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
F2 P00734 1/20 0.32
F10 P00742 1/20 0.32
PRSS1 P07477 1/20 0.32
BIRC5 O15392 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL21925193 0.79 PRKCI (0.42) PRKCIMAPTCDC7CDK2BRPF1
SCHEMBL31413331 0.79 PRKCI (0.42) PRKCIMAPTCDC7CDK2BRPF1
SCHEMBL15712770 0.77 SMN1; SMN2 (0.55) PRKCIMAPTCDC7CDK2SMN1; SMN2
SCHEMBL28942939 0.72 CDC7 (0.51) PRKCIMAPTCDC7CDK2ROCK1
SCHEMBL31413327 0.71 PRKCI (0.38) PRKCIMAPTCDC7CDK2BRPF1
SCHEMBL21925198 0.71 PRKCI (0.38) PRKCIMAPTCDC7CDK2BRPF1
SCHEMBL31413335 0.71 MAPT (0.54) MAPTROCK1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL21925197 0.71 MAPT (0.54) MAPTROCK1SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL27939752 0.71 CA12 (0.44) MAPTCDC7CDK2MAP3K14SMN1; SMN2
SCHEMBL29755944 0.71 PRKCI (0.57) PRKCIMAPTBRPF1ROCK1SMN1; SMN2

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
CN-113286581-A Intraocular or oral administration of pharmaceutical compositions for the treatment of retinal diseases 扶桑药品工业株式会社 2021-08-20 CN disclosed