SCHEMBL14019141

SCHEMBL14019141

Cn1ncc2[nH]c(=O)c(Oc3ccccc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 9/20 0.39
▸ CREBBP Q92793 1/20 0.37
▸ NTRK1 P04629 2/20 0.36
▸ IGF1R P08069 2/20 0.36
▸ FGFR1 P11362 2/20 0.36
▸ NTRK2 Q16620 2/20 0.36
▸ TRIM24 O15164 4/20 0.36
▸ BRD1 O95696 4/20 0.36
▸ BRPF1 P55201 4/20 0.36
▸ GRIN2D O15399 1/20 0.35
▸ GRIN3B O60391 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2A Q12879 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35
▸ GRIN2C Q14957 1/20 0.35
▸ GRIN3A Q8TCU5 1/20 0.35

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
SCHEMBL13764828 0.78 MAPK14 (0.42) BRD4
SCHEMBL14019142 0.75 BRPF1 (0.42) BRD4CREBBPTRIM24BRD1BRPF1
SCHEMBL31613196 0.69 CYP1A2 (0.42) BRD4CREBBP
SCHEMBL30896348 0.68 HTR6 (0.48) —
SCHEMBL7708458 0.67 RECQL (0.51) BRD4NTRK1IGF1RFGFR1NTRK2
SCHEMBL15722441 0.66 BRD4 (0.44) BRD4CREBBP
SCHEMBL30896342 0.65 HAO1 (0.45) —
SCHEMBL28623299 0.65 KDM4E (0.38) BRD4GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19153933 0.65 PDE3B (0.39) —
SCHEMBL5206240 0.63 NOS1 (0.45) BRD4

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
US-7435731-B2 Substituted pyrazolo[3,4-d]pyrimadines and methods of using the same ROCHE PALO ALTO LLC (US) 2008-10-14 — — US disclosed
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