SCHEMBL9043059

SCHEMBL9043059

CCn1nc(N)c(=O)c2cc(Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 15/20 0.53
▸ MAPK9 P45984 7/20 0.44
▸ MAPK10 P53779 6/20 0.44
▸ MAP4K4 O95819 1/20 0.41
▸ CSF1R P07333 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ CLK2 P49760 1/20 0.41
▸ MAP4K2 Q12851 1/20 0.41
▸ MINK1 Q8N4C8 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ MAP4K5 Q9Y4K4 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ PTGER4 P35408 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ KCNH2 Q12809 2/20 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
SCHEMBL9042400 0.88 MAPK8 (0.44) MAPK8MAPK9MAPK10CSF1RPIM1
SCHEMBL9042310 0.84 KDM4C (0.43) MAPK8KDM4EALDH1A1HPGDHSD17B10
SCHEMBL9042883 0.82 LMNA (0.42) MAPK8KDM4EALDH1A1TSHRLMNA
SCHEMBL9041922 0.78 ALDH1A1 (0.51) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL24182151 0.76 ADORA2A (0.62) MAPK8MAPK9MAPK10MAP4K4CSF1R
SCHEMBL9040334 0.74 KDM4E (0.67) KDM4EALDH1A1HPGDHSD17B10TSHR
SCHEMBL9041780 0.73 BRD9 (0.40) PIM1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11154817 0.73 MAPK8 (0.47) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL16440327 0.72 MAPK8 (0.42) MAPK8MAPK9MAPK10KDM4EALDH1A1
SCHEMBL3247322 0.71 AKR1B1 (0.57) MAPK8MAPT

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
EP-0613470-B1 NOVEL 4-CINNOLINONE DERIVATIVES, THEIR PREPARATION AND APPLICATION IN THERAPY PF MEDICAMENT (FR) 1996-01-10 — — EP claimed
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