SCHEMBL901239

SCHEMBL901239

Cc1ccnc(N)c1-c1cccc(-c2cccc(N3CCC(N)CC3)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.48
PRMT6 Q96LA8 1/20 0.48
PRMT8 Q9NR22 1/20 0.48
KARS1 Q15046 2/20 0.46
VCP P55072 1/20 0.44
DKK1 O94907 1/20 0.44
DHFR P00374 8/20 0.43
PRKCA P17252 1/20 0.43
PRKCQ Q04759 1/20 0.43
HTR1A P08908 1/20 0.40
HTR7 P34969 1/20 0.40
AKT1 P31749 3/20 0.39
HRH3 Q9Y5N1 1/20 0.39
AKT2 P31751 1/20 0.39
AKT3 Q9Y243 1/20 0.39
CDK1 P06493 1/20 0.38
CDK2 P24941 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
SCHEMBL902780 0.76 KARS1 (0.78) CARM1PRMT6PRMT8KARS1VCP
SCHEMBL3756786 0.69 CARM1 (0.51) CARM1PRMT6PRMT8KARS1DKK1
SCHEMBL7008838 0.67 HRH4 (0.48) KARS1DKK1HRH3AKT2
SCHEMBL9982790 0.67 ADRB1 (0.59) VCPDHFRHTR7
Hydrochloric Acid SCHEMBL16684861 0.66 HRH4 (0.47) KARS1DKK1HRH3AKT2
SCHEMBL21590373 0.66 HRH3 (0.53) VCPDKK1HRH3AKT2CDK1
SCHEMBL19209929 0.65 DHFR (0.72) DHFR
Hydrochloric Acid SCHEMBL3513389 0.65 SMO (0.49) VCP
SCHEMBL12269941 0.65 CAMK2D (0.47) CARM1PRMT6PRMT8KARS1DHFR
Hydrochloric Acid SCHEMBL9876690 0.65 ADRB1 (0.56) VCPDHFRHTR7

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-2012041476-A1 PYRIDINE AND ISOQUINOLINE DERIVATIVES AS SYK- AND JAK-KINASE INHIBITORS ALMIRALL, S.A. (ES) 2012-04-05 WO disclosed