SCHEMBL22859129

SCHEMBL22859129

COc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)cc4)c3n2)cc2c1CN(CCO)CC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 9/20 0.55
▸ ABL1 P00519 2/20 0.42
▸ AXL P30530 1/20 0.41
▸ MERTK Q12866 1/20 0.41
▸ SYK P43405 2/20 0.40
▸ TNIK Q9UKE5 1/20 0.40
▸ MAPK1 P28482 2/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ PARP1 P09874 1/20 0.37
▸ MAP3K11 Q16584 1/20 0.36

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
SCHEMBL22859141 0.94 MAP4K1 (0.55) MAP4K1ABL1AXLMERTKSYK
SCHEMBL22858833 0.94 MAP4K1 (0.57) MAP4K1ABL1AXLMERTKSYK
SCHEMBL22859132 0.94 MAP4K1 (0.53) MAP4K1ABL1AXLMERTKSYK
SCHEMBL22859138 0.92 MAP4K1 (0.52) MAP4K1ABL1AXLMERTKSYK
SCHEMBL22859133 0.92 MAP4K1 (0.52) MAP4K1ABL1AXLMERTKSYK
SCHEMBL22858844 0.92 MAP4K1 (0.52) MAP4K1ABL1AXLMERTKSYK
SCHEMBL22858769 0.91 MAP4K1 (0.64) MAP4K1ABL1AXLMERTKSYK
SCHEMBL29609161 0.91 MAP4K1 (0.51) MAP4K1ABL1AXLMERTKSYK
SCHEMBL22858746 0.91 MAP4K1 (0.51) MAP4K1ABL1AXLMERTKSYK
SCHEMBL22859157 0.90 MAP4K1 (0.54) MAP4K1ABL1AXLMERTKSYK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021000925-A1 PYRROLO [2, 3-b] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-01-07 — — WO disclosed
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