SCHEMBL3421182

SCHEMBL3421182

c1cc(NC2CCCCC2)nc(-c2ccc3nccnc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.48
CTSK P43235 2/20 0.46
PIM1 P11309 2/20 0.45
PIM3 Q86V86 2/20 0.45
PIM2 Q9P1W9 2/20 0.45
GPR39 O43194 2/20 0.44
MAOB P27338 1/20 0.43
PRKD1 Q15139 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAP4K4 O95819 2/20 0.41
MAPK10 P53779 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
CCNT1 O60563 1/20 0.40
CDC7 O00311 1/20 0.40
PDGFRB P09619 1/20 0.40

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
SCHEMBL1029414 0.81 CDK1 (0.51) CTSKPIM1PIM3KDM4EMAP4K4
SCHEMBL12898597 0.72 CCNT1 (0.61) PRKD1KDM4EALDH1A1L3MBTL1CCNT1
SCHEMBL12898694 0.71 CCNT1 (0.58) PRKD1LMNASMN1; SMN2CCNT1CDC7
SCHEMBL3391570 0.70 CYP1A2 (0.46) ALDH1A1MAP4K4LMNAIRAK4
SCHEMBL25158454 0.69 CDC7 (0.47) PIM1PIM3MAP4K4MAPK10IRAK4
SCHEMBL1718265 0.68 PRKCI (0.52) PIM1PIM3PIM2MAP4K4IRAK4
SCHEMBL8942450 0.67 RIPK1 (0.55) PIM1PIM3PIM2MAP4K4IRAK4
SCHEMBL7956048 0.67 KARS1 (0.57) PRKD1CCNT1
SCHEMBL1579219 0.67 PRKD1 (0.71) PRKD1
SCHEMBL29632728 0.67 CTSK (0.59) CNR1CTSKGPR39MAOBKDM4E

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-2010052448-A2 FUSED PYRAZINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-05-14 WO disclosed