SCHEMBL2902263

SCHEMBL2902263

Cc1cc2ncc(C(=O)O)n2nc1N(C)Cc1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 2/20 0.39
▸ KDM5A P29375 1/20 0.37
▸ KDM4C Q9H3R0 1/20 0.37
▸ KDM5B Q9UGL1 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ KDM2B Q8NHM5 1/20 0.37
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ CXCR1 P25024 2/20 0.35
▸ CXCR2 P25025 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PTPN1 P18031 2/20 0.35
▸ DAO P14920 1/20 0.34
▸ P4HTM Q9NXG6 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ATM Q13315 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1203766 0.83 CXCR1 (0.44) MAPTCXCR1CXCR2SMN1; SMN2
SCHEMBL1203027 0.81 NTRK1 (0.48) PPARABRD4TGFBR1MAPTCXCR1
SCHEMBL1202935 0.77 P4HTM (0.47) PPARAKDM5AKDM4CKDM5BMAPT
SCHEMBL19554501 0.70 NPC1 (0.43) TGFBR1KDM4EPOLBSMN1; SMN2
SCHEMBL15630537 0.70 TRPM8 (0.51) PPARAKDM2BTRPM8CXCR1CXCR2
SCHEMBL12983447 0.69 AGTR1 (0.42) PPARAKDM5AKDM4CKDM5BKDM2B
SCHEMBL2903422 0.69 MMP13 (0.43) PPARAP4HTM
SCHEMBL19613847 0.69 NTRK1 (0.39) TGFBR1MAPTKDM4E
SCHEMBL1202379 0.68 NTRK1 (0.47) MAPTKDM4EPTPN1TDP1POLB
SCHEMBL1202088 0.67 FYN (0.63) KDM4EP4HTM

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-2217601-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2010-08-18 — — EP disclosed
WO-2009060197-A1 IMIDAZOPYRIDAZINES FOR USE AS PROTEIN KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2009-05-14 — — WO disclosed
Send feedback