SCHEMBL29037685

SCHEMBL29037685

COc1cccc(F)c1NC(=O)c1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 2/20 0.59
LCK P06239 2/20 0.57
MAPK14 Q16539 2/20 0.57
BRD4 O60885 9/20 0.56
MAP3K7 O43318 3/20 0.55
MAP2K1 Q02750 3/20 0.55
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
CDK2 P24941 1/20 0.54
TNK2 Q07912 1/20 0.54
MAPK1 P28482 2/20 0.54
FLT3 P36888 1/20 0.54
KDR P35968 1/20 0.53
JAK2 O60674 1/20 0.53
EGFR P00533 1/20 0.53
BLK P51451 1/20 0.53
BMX P51813 1/20 0.53
JAK3 P52333 1/20 0.53
FGFR1 P11362 1/20 0.52

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
SCHEMBL29037788 0.92 LCK (0.62) ALKLCKMAPK14BRD4MAP3K7
SCHEMBL29037855 0.86 LCK (0.59) ALKLCKMAPK14BRD4MAP3K7
SCHEMBL29520500 0.85 SRC (0.58) ALKLCKMAPK14BRD4MAP3K7
SCHEMBL29037779 0.83 TNK2 (0.61) ALKLCKMAPK14BRD4MAP3K7
SCHEMBL29037761 0.80 TNK2 (0.50) LCKMAPK14BRD4MAP3K7MAP2K1
SCHEMBL29037869 0.80 ALK (0.48) ALKLCKMAPK14BRD4MAP3K7
SCHEMBL29037688 0.80 LCK (0.70) ALKLCKMAPK14BRD4MAP3K7
SCHEMBL29037768 0.80 MAPK8 (0.51) ALKLCKMAPK14BRD4MAP3K7
SCHEMBL4488398 0.80 TNK2 (0.59) LCKMAPK14BRD4MAP3K7MAP2K1
SCHEMBL29037767 0.80 SIK1 (0.62) BRD4TNK2FLT3EGFRJAK3

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
CN-116456985-A Pyrimidine and pyridine derivatives as HPK1 modulators and methods of use thereof 深圳市原力生命科学有限公司 2023-07-18 CN disclosed
WO-2022063140-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AS HPK1 MODULATOR AND METHODS USING SAME SHENZHEN IONOVA LIFE SCIENCE CO., LTD. (CN) 2022-03-31 WO disclosed