SCHEMBL20038575

SCHEMBL20038575

Cc1ccc2c(n1)CCN(CCN=O)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ PDCD1 Q15116 7/20 0.38
▸ CD274 Q9NZQ7 7/20 0.38
▸ POLB P06746 2/20 0.36
▸ TP53 P04637 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ PNMT P11086 1/20 0.33

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
SCHEMBL21414353 0.83 CDK4 (0.37) MAPTCYP3A4CYP2D6LMNAPDCD1
SCHEMBL21414409 0.81 PNMT (0.44) MAPTCYP3A4CYP2D6LMNAPDCD1
SCHEMBL18819902 0.81 PDCD1 (0.52) MAPTCYP3A4CYP2D6PDCD1CD274
SCHEMBL12693988 0.80 CDK4 (0.43) MAPTCYP3A4CYP2D6LMNAPDCD1
SCHEMBL18820431 0.79 CDK4 (0.42) MAPTCYP3A4CYP2D6LMNAPDCD1
SCHEMBL21452319 0.79 CDK4 (0.42) MAPTLMNAPDCD1CD274POLB
SCHEMBL18291660 0.79 CDK4 (0.44) PDCD1CD274JAK2
SCHEMBL18819903 0.78 CDK4 (0.42) LMNAPDCD1CD274POLBFLT3
SCHEMBL18291672 0.76 ADRA1B (0.45) PDCD1CD274
SCHEMBL12706734 0.76 CD274 (0.47) MAPTPDCD1CD274POLBTP53

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-3305785-A1 PYRIDO[3,4-d]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF Teijin Pharma Limited (JP) 2018-04-11 — — EP disclosed
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