SCHEMBL845050

SCHEMBL845050

CCN(C(=O)O)c1cc2ccc(F)cc2nc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 1/20 0.36
TERT O14746 1/20 0.36
TBXA2R P21731 1/20 0.35
CYP3A4 P08684 1/20 0.35
PDK1 Q15118 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DYRK1A Q13627 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
ADORA1 P30542 1/20 0.34
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
MAPK14 Q16539 1/20 0.33
GLA P06280 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
SCHEMBL5138 0.81 MAPT (0.32) MAPTTP53KDM4E
SCHEMBL4442100 0.74 PIK3CD (0.43) PDK1TSHR
SCHEMBL14047370 0.72 KMT2A (0.50) MAPTGAATERTALDH1A1KDM4E
SCHEMBL8613 0.72 TP53 (0.43) MAPTGAATP53CYP3A4TRPM8
SCHEMBL26617646 0.71 KEAP1 (0.54) MAPTGAAALDH1A1
SCHEMBL1728322 0.71 ALDH1A1 (0.35) MAPTTP53CYP3A4ALDH1A1KDM4E
SCHEMBL15303082 0.70 GAA (0.41) MAPTGAATP53ALDH1A1KDM4E
SCHEMBL3579340 0.67 ALDH1A1 (0.62) MAPTGAATBXA2RALDH1A1KDM4E
SCHEMBL12970077 0.67 KMT2A (0.42) MAPTGAACYP3A4ALDH1A1KDM4E
SCHEMBL26617529 0.67 PLA2G2A (0.44) MAPTGAATP53ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432784-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2012-03-28 EP disclosed
EP-2396315-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2011-12-21 EP disclosed
WO-2010133836-A1 FUSED BICYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-11-25 WO disclosed
WO-2010092340-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-08-19 WO disclosed