SCHEMBL3435554

SCHEMBL3435554

CCC(O)Cc1nc(Nc2cc(F)cc(OC)c2)nn1-c1cc(C)nc(C)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 7/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ PRKCQ Q04759 3/20 0.31
▸ ABCB1 P08183 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PDE2A O00408 1/20 0.30
▸ ZAP70 P43403 1/20 0.30
▸ KARS1 Q15046 1/20 0.30

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
SCHEMBL3776106 1.00 SRC (0.33) SRCLMNATP53MAPTIGF1R
SCHEMBL3435660 0.90 JAK2 (0.37) SRCLMNATP53MAPK1ZAP70
SCHEMBL3783059 0.90 JAK2 (0.37) SRCLMNATP53MAPK1ZAP70
SCHEMBL3779354 0.89 SRC (0.33) SRCLMNAMAPTIGF1RSMN1; SMN2
SCHEMBL3770357 0.83 RAPGEF4 (0.30) —
SCHEMBL3433367 0.83 RAPGEF4 (0.30) —
SCHEMBL3777850 0.78 GSK3B (0.46) SRCZAP70
SCHEMBL3026142 0.77 LMNA (0.35) SRCLMNATP53MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL3021462 0.77 LMNA (0.34) SRCLMNATP53MAPTSMN1; SMN2
SCHEMBL3431969 0.75 TP53 (0.31) TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257535-A1 TRISUBSTITUTED 1, 2, 4 -TRIAZOIIES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2010-12-08 — — EP disclosed
WO-2009115547-A1 TRISUBSTITUTED 1, 2, 4 -TRIAZOIIES AS NICOTINIC ACETYLCHOLINE RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-09-24 — — WO disclosed
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