SCHEMBL9054189

SCHEMBL9054189

CCCNc1cc(-c2ccccc2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
CHEK1 O14757 1/20 0.45
RET P07949 1/20 0.45
PDGFRB P09619 1/20 0.45
PIM1 P11309 1/20 0.45
PDGFRA P16234 1/20 0.45
GSK3B P49841 1/20 0.45
RPS6KA3 P51812 1/20 0.45
LIMK1 P53667 1/20 0.45
CDK5 Q00535 1/20 0.45
TYRO3 Q06418 1/20 0.45
MAPK14 Q16539 1/20 0.45
LRRK2 Q5S007 1/20 0.45
AURKB Q96GD4 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL9051736 0.91 TLR8 (0.51) L3MBTL1POLBRAB9ACHEK1RET
SCHEMBL10599732 0.89 RAB9A (0.51) L3MBTL1POLBRAB9ACHEK1RET
SCHEMBL167579 0.87 L3MBTL1 (0.53) L3MBTL1POLBRAB9ACHEK1RET
SCHEMBL4948626 0.78 L3MBTL1 (0.58) L3MBTL1POLBRAB9ACHEK1RET
SCHEMBL27667676 0.76 MAPT (0.43) RAB9APIM1GSK3BLMNATP53
SCHEMBL14217911 0.75 L3MBTL1 (0.47) L3MBTL1POLBRAB9ACHEK1RET
SCHEMBL7395253 0.74 POLB (0.55) L3MBTL1POLBRAB9ACHEK1RET
SCHEMBL12282618 0.74 MAPT (0.53) L3MBTL1POLBRAB9ALMNATP53
SCHEMBL27667669 0.74 CYP1A2 (0.41) RAB9APIM1GSK3BCLK4TP53
SCHEMBL11886170 0.73 ADORA3 (0.55) L3MBTL1POLBRAB9ACHEK1RET

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-1996034591-A1 DIAMINOPYRAZOLE-CONTAINING COMPOSITIONS FOR COLOURING KERATIN FIBRES, COLOURING PROCESS, NOVEL DIAMINOPYRAZOLES AND METHOD FOR THEIR PREPARATION L'OREAL (FR) 1996-11-07 WO claimed