SCHEMBL29819702

SCHEMBL29819702

CN1CCc2ccc(Nc3ncc4cn[nH]c4n3)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.52
TNK2 Q07912 4/20 0.52
AXL P30530 2/20 0.52
WEE1 P30291 4/20 0.48
FGFR1 P11362 2/20 0.48
PDGFRB P09619 2/20 0.48
PDGFRA P16234 2/20 0.48
PTK2 Q05397 2/20 0.48
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
DAPK3 O43293 1/20 0.48
JAK2 O60674 1/20 0.48
PRKD3 O94806 1/20 0.48
MAP4K4 O95819 1/20 0.48
PAK4 O96013 1/20 0.48
ABL1 P00519 1/20 0.48
NTRK1 P04629 1/20 0.48
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
CSF1R P07333 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
SCHEMBL27156485 1.00 BTK (0.52) BTKTNK2AXLWEE1FGFR1
SCHEMBL27156790 0.82 BTK (0.59) BTKTNK2AXLWEE1EGFR
SCHEMBL29820148 0.82 BTK (0.59) BTKTNK2AXLWEE1EGFR
SCHEMBL30634006 0.81 BTK (0.55) BTKTNK2AXLWEE1PTK2
SCHEMBL27156415 0.81 BTK (0.60) BTKTNK2AXLWEE1EGFR
SCHEMBL31442053 0.81 ALK (0.76) BTKTNK2AXLWEE1FGFR1
SCHEMBL29820057 0.80 MAPT (0.57) BTKAXLWEE1PTK2CHEK1
SCHEMBL27156757 0.80 MAPT (0.57) BTKAXLWEE1PTK2CHEK1
SCHEMBL17112501 0.80 EGFR (0.48) BTKTNK2AXLWEE1PTK2
SCHEMBL3583145 0.79 AURKA (0.64) BTKTNK2WEE1FGFR1PDGFRB

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-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed
WO-2022197641-A1 1H-PYRAZOLO[3,4-D]PYRIMIDIN-6-YL-AMINE DERIVATIVES AS HEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) MODULATORS AND/OR INHIBITORS FOR THE TREATMENT OF CANCER AND OTHER DISEASES RAPT THERAPEUTICS, INC. (US) 2022-09-22 WO disclosed