SCHEMBL12696310

SCHEMBL12696310

Nc1ccc2c(n1)CCN(CCCO)C2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FLT3 P36888 2/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ PNMT P11086 1/20 0.42
▸ PDCD1 Q15116 12/20 0.40
▸ CD274 Q9NZQ7 12/20 0.40
▸ CDK4 P11802 1/20 0.39
▸ HTR5A P47898 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL20356369 0.82 CDK4 (0.41) JAK2CDK4HTR5ALMNATP53
SCHEMBL20203452 0.80 FLT3 (0.47) FLT3JAK2PNMTPDCD1CD274
SCHEMBL22544270 0.79 RAD52 (0.49) PNMTLMNATP53MAPT
SCHEMBL29591564 0.79 CDK4 (0.40) PDCD1CD274CDK4LMNATP53
SCHEMBL28625493 0.78 DRD2 (0.37) PDCD1CD274TP53MAPT
Hydrochloric Acid SCHEMBL29591446 0.78 CDK4 (0.40) PDCD1CD274CDK4LMNATP53
SCHEMBL20037477 0.74 PDCD1 (0.47) FLT3JAK2PNMTPDCD1CD274
SCHEMBL18819902 0.74 PDCD1 (0.52) FLT3JAK2PDCD1CD274CDK4
SCHEMBL12101137 0.73 CYP2C9 (0.47) LMNAMAPT
SCHEMBL30316371 0.73 CYP2C9 (0.47) LMNAMAPT

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-2012129344-A1 FUSED TRICYCLIC DUAL INHIBITORS OF CDK 4/6 AND FLT3 AMGEN INC. (US) 2012-09-27 — — WO disclosed
Send feedback