SCHEMBL29520808

SCHEMBL29520808

CN1CCN(c2ccc(Nc3ncc(Cl)c(C(=O)O)n3)cc2F)CC12CC2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.48
AXL P30530 2/20 0.47
BRD4 O60885 7/20 0.46
JAK3 P52333 3/20 0.45
MAPK9 P45984 1/20 0.44
MAPK10 P53779 1/20 0.44
PAK1 Q13153 2/20 0.44
BTK Q06187 2/20 0.43
FLT3 P36888 2/20 0.43
JAK1 P23458 3/20 0.43
BRDT Q58F21 1/20 0.43
SYK P43405 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
CCND3 P30281 1/20 0.41
CDK9 P50750 1/20 0.41
CDK6 Q00534 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
SCHEMBL29520343 0.80 PAK1 (0.45) EGFRBRD4JAK3PAK1
SCHEMBL29037767 0.73 SIK1 (0.62) EGFRAXLBRD4JAK3PAK1
SCHEMBL29037749 0.72 ALK (0.69) EGFRBRD4CCND3CDK9CDK6
SCHEMBL29520446 0.70 KDM4E (0.41) AXLBRD4
SCHEMBL29037876 0.70 EGFR (0.60) EGFRJAK3FLT3JAK1
SCHEMBL29037857 0.68 EGFR (0.64) EGFRJAK3FLT3JAK1
SCHEMBL29037894 0.68 PAK1 (0.61) EGFRBRD4PAK1
SCHEMBL29520433 0.68 WEE1 (0.52) EGFRAXLBRD4JAK3PAK1
SCHEMBL31684746 0.67 JAK3 (0.71) EGFRBRD4JAK3BTKFLT3
SCHEMBL29037725 0.66 ALK (0.57) EGFRBRD4JAK3JAK1SYK

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