SCHEMBL29037779

SCHEMBL29037779

CN1CCN(C2CCN(c3ccc(Nc4ncc(Cl)c(C(=O)Nc5c(F)cccc5Cl)n4)cc3)CC2)CC1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 5/20 0.61
LCK P06239 1/20 0.55
MAPK14 Q16539 1/20 0.55
CDK4 P11802 1/20 0.53
CCND1 P24385 1/20 0.53
CDK6 Q00534 1/20 0.53
SRC P12931 6/20 0.52
FGFR1 P11362 2/20 0.50
HCK P08631 1/20 0.50
INSR P06213 1/20 0.49
IGF1R P08069 1/20 0.49
ALK Q9UM73 1/20 0.49
CDK11A Q9UQ88 1/20 0.49
EGFR P00533 2/20 0.48
MAP3K7 O43318 1/20 0.48
BRD4 O60885 1/20 0.48

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
SCHEMBL29037826 0.88 LCK (0.56) TNK2LCKMAPK14CDK4CCND1
SCHEMBL29037770 0.86 FGFR1 (0.58) TNK2LCKMAPK14FGFR1INSR
SCHEMBL29037757 0.84 CDK6 (0.59) LCKMAPK14CDK4CCND1CDK6
SCHEMBL29037685 0.83 ALK (0.59) TNK2LCKMAPK14CDK4CCND1
SCHEMBL29037767 0.81 SIK1 (0.62) TNK2SRCEGFRBRD4
SCHEMBL29037691 0.81 JAK3 (0.57) TNK2LCKMAPK14FGFR1INSR
SCHEMBL29037747 0.81 EGFR (0.65) FGFR1EGFR
SCHEMBL29037725 0.80 ALK (0.57) TNK2LCKMAPK14CDK4CCND1
SCHEMBL29037788 0.80 LCK (0.62) LCKMAPK14CDK4CCND1SRC
SCHEMBL29037703 0.78 MAPK8 (0.59) TNK2LCKMAPK14SRCALK

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