SCHEMBL29037876

SCHEMBL29037876

Cc1cc(Nc2ncc(Cl)c(C(=O)O)n2)ccc1N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.60
TNK2 Q07912 2/20 0.53
CSF1R P07333 8/20 0.51
JAK2 O60674 3/20 0.51
JAK3 P52333 3/20 0.51
EML4 Q9HC35 3/20 0.51
ALK Q9UM73 3/20 0.51
JAK1 P23458 2/20 0.51
TYK2 P29597 2/20 0.51
RET P07949 2/20 0.51
ROS1 P08922 2/20 0.51
FLT3 P36888 2/20 0.51
TTK P33981 1/20 0.50

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
SCHEMBL29037857 0.96 EGFR (0.64) EGFRTNK2CSF1RJAK2JAK3
SCHEMBL29037894 0.89 PAK1 (0.61) EGFRALK
SCHEMBL29037725 0.86 ALK (0.57) EGFRTNK2JAK2JAK3ALK
SCHEMBL29037794 0.85 EGFR (0.65) EGFRJAK2JAK3ALKJAK1
SCHEMBL29037757 0.83 CDK6 (0.59) EGFRJAK2JAK3ALKJAK1
SCHEMBL30444439 0.82 EGFR (0.61) EGFRALK
SCHEMBL29037756 0.82 EGFR (0.61) EGFRALK
SCHEMBL29037832 0.81 EGFR (0.51) EGFRTNK2CSF1RALK
SCHEMBL26875434 0.80 JAK2 (0.65) EGFRTNK2JAK2JAK3ALK
SCHEMBL29037749 0.76 ALK (0.69) EGFRALK

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