SCHEMBL19951649

SCHEMBL19951649

Cc1cccc(F)c1-c1cc(-c2ccc(N3CCN(C)CC3)nc2)n[nH]1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.53
MELK Q14680 1/20 0.46
MAP4K1 Q92918 4/20 0.45
FYN P06241 3/20 0.44
TDO2 P48775 1/20 0.44
ACVR1B P36896 1/20 0.43
TGFBR1 P36897 1/20 0.43
PRKD1 Q15139 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
WNT1 P04628 1/20 0.41
CLK2 P49760 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
ATR Q13535 1/20 0.41
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41

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
SCHEMBL28903756 0.85 MELK (0.64) MELKMAP4K1PRKD1JAK2
SCHEMBL19951623 0.82 MAP4K1 (0.45) TNKSMELKMAP4K1TDO2ACVR1B
SCHEMBL28903809 0.78 MELK (0.70) MELKMAP4K1PRKD1JAK2
SCHEMBL28903771 0.77 MELK (0.71) MELKMAP4K1PRKD1JAK2
SCHEMBL28903755 0.74 TNKS (0.52) TNKSMELKMAP4K1FYNTDO2
SCHEMBL28748471 0.74 TNKS (0.40) TNKSMELKMAP4K1PRKD1DYRK1A
SCHEMBL28903817 0.74 MELK (0.63) MELKMAP4K1PRKD1
SCHEMBL19951736 0.73 MAP4K1 (0.54) MELKMAP4K1
SCHEMBL19949883 0.73 MAP4K1 (0.46) TNKSMAP4K1TDO2TGFBR1
SCHEMBL28642628 0.73 MAP4K1 (0.44) TNKSMAP4K1FYNTDO2JAK2

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
WO-2018049214-A9 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-10-18 WO disclosed
WO-2018049214-A1 PYRAZOLOPYRIDINE DERIVATIVES AS HPK1 MODULATORS AND USES THEREOF FOR THE TREATMENT OF CANCER INCYTE CORPORATION (US) 2018-03-15 WO disclosed