SCHEMBL22009457

SCHEMBL22009457

COC(=O)c1nn(C2CCCN(C(=O)OC(C)(C)C)C2)c2ccnc(N)c12

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.45
SRC P12931 5/20 0.42
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CB P42338 2/20 0.42
PIK3CG P48736 2/20 0.42
PIK3R2 O00459 1/20 0.42
PIK3R5 Q8WYR1 1/20 0.42
PIK3R3 Q92569 1/20 0.42
EGFR P00533 3/20 0.42
ABL1 P00519 2/20 0.41
ABL2 P42684 1/20 0.41
HCK P08631 1/20 0.40
KDR P35968 1/20 0.40
MTOR P42345 1/20 0.40
EPHB4 P54760 1/20 0.40
PRKDC P78527 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
ITK Q08881 1/20 0.40

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
SCHEMBL31684335 1.00 BTK (0.45) BTKSRCPIK3CDPIK3CAPIK3CB
SCHEMBL21965625 1.00 BTK (0.45) BTKSRCPIK3CDPIK3CAPIK3CB
SCHEMBL20645511 0.95 BTK (0.45) BTKSRCPIK3CDPIK3CAPIK3CB
SCHEMBL31684306 0.95 BTK (0.45) BTKSRCPIK3CDPIK3CAPIK3CB
SCHEMBL21903578 0.91 BTK (0.46) BTKSRCPIK3CDPIK3CAPIK3CB
SCHEMBL20645478 0.91 BTK (0.46) BTKSRCPIK3CDPIK3CAPIK3CB
SCHEMBL21579420 0.86 EGFR (0.48) BTKSRCPIK3CDPIK3CAPIK3CB
SCHEMBL21903722 0.86 JAK2 (0.48) BTKSRCPIK3CDPIK3CAPIK3CB
SCHEMBL22009062 0.86 JAK2 (0.48) BTKSRCPIK3CDPIK3CAPIK3CB
SCHEMBL6274546 0.86 EGFR (0.48) BTKSRCPIK3CDPIK3CAPIK3CB

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
EP-3653626-A1 NOVEL 1H-PYRAZOLOPYRIDINE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Daewoong Pharmaceutical Co., Ltd. (KR) 2020-05-20 EP disclosed
CN-110914266-A Novel 1H-pyrazolopyridine derivative and pharmaceutical composition comprising the same 株式会社大熊制药 2020-03-24 CN disclosed