SCHEMBL13421889

SCHEMBL13421889

Nc1cc(Nc2cc(NCCN3CCOCC3)c3ncc(N)n3n2)cc(C(F)(F)F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 5/20 0.47
▸ BCR P11274 5/20 0.47
▸ TYK2 P29597 2/20 0.39
▸ STAT3 P40763 1/20 0.39
▸ PIM1 P11309 1/20 0.37
▸ CYP1A2 P05177 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ HIF1A Q16665 2/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TTK P33981 1/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ OPRK1 P41145 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
SCHEMBL13421888 0.84 TYK2 (0.43) TYK2STAT3TTKPDE4D
SCHEMBL13421385 0.82 TYK2 (0.43) TYK2STAT3PDE4D
SCHEMBL13422017 0.81 TYK2 (0.40) TYK2STAT3PDE4DBRAF
SCHEMBL3313759 0.80 TYK2 (0.49) ABL1BCRTYK2STAT3PIM1
SCHEMBL13421519 0.78 TYK2 (0.49) TYK2STAT3PDE4D
SCHEMBL13421763 0.78 TYK2 (0.60) TYK2STAT3PIM1PDE4DKCNH2
SCHEMBL13421562 0.76 ABL1 (0.45) ABL1BCRPIM1BRAFIRAK4
SCHEMBL13421379 0.76 TYK2 (0.56) TYK2STAT3PIM1PDE4D
SCHEMBL13421887 0.76 TYK2 (0.41) TYK2STAT3ALDH1A1RAB9APDE4D
SCHEMBL13421890 0.76 TYK2 (0.51) TYK2STAT3ALDH1A1RAB9APDE4D

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-2010042699-A1 IMIDAZOPYRIDAZINECARBONITRILES USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-15 — — WO disclosed
Send feedback