SCHEMBL3656008

SCHEMBL3656008

Cc1cccc2cc(C(C)N)c(Cl)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIK3CD O00329 1/20 0.43
ATM Q13315 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
PNMT P11086 1/20 0.40
KDR P35968 8/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 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
SCHEMBL717941 1.00 DRD4 (0.45) DRD4DRD3L3MBTL1PIK3CDATM
SCHEMBL26529514 0.87 LMNA (0.47) DRD4DRD3L3MBTL1PIK3CDATM
SCHEMBL10187 0.85 CYP1A2 (0.49) PIK3CDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL9622 0.85 CYP1A2 (0.49) PIK3CDCYP1A2CYP3A4CYP2D6NFKB1
SCHEMBL1886074 0.84 DRD4 (0.45) DRD4DRD3L3MBTL1PIK3CDATM
SCHEMBL1880475 0.84 DRD4 (0.45) DRD4DRD3L3MBTL1PIK3CDATM
SCHEMBL22476053 0.83 PNMT (0.39) DRD4DRD3L3MBTL1PIK3CDCYP1A2
SCHEMBL19788572 0.83 PNMT (0.39) DRD4DRD3L3MBTL1PIK3CDCYP1A2
SCHEMBL9732163 0.81 DRD4 (0.53) DRD4DRD3L3MBTL1ATMKDR
SCHEMBL4176627 0.79 PIK3CD (0.68) PIK3CDATMCYP1A2CYP3A4CYP2D6

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-2396315-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2011-12-21 EP disclosed
EP-2231641-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2010-09-29 EP disclosed
WO-2010092340-A1 FUSED PYRIDINE AND PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-08-19 WO disclosed
WO-2009081105-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-07-02 WO disclosed