SCHEMBL21592476

SCHEMBL21592476

CN1CCN(Cc2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)N(C)C)cc5)c4n3)cc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.62
TNIK Q9UKE5 10/20 0.61
AXL P30530 2/20 0.59
MERTK Q12866 2/20 0.59
MAP3K11 Q16584 4/20 0.56
IKBKB O14920 1/20 0.47
CHUK O15111 1/20 0.47
ABL1 P00519 1/20 0.47
INSR P06213 1/20 0.47
CDK2 P24941 1/20 0.47
FLT3 P36888 1/20 0.47
JAK2 O60674 1/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46

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
SCHEMBL21592484 0.92 MAP4K1 (0.61) MAP4K1TNIKAXLMERTKMAP3K11
SCHEMBL21592435 0.86 MAP4K1 (0.77) MAP4K1TNIKAXLMERTK
SCHEMBL21592502 0.83 MAP4K1 (0.61) MAP4K1TNIKAXLMERTKMAP3K11
SCHEMBL21592754 0.83 MAP4K1 (0.68) MAP4K1TNIKAXLMERTK
SCHEMBL21592837 0.83 TNIK (0.85) MAP4K1TNIKMAP3K11IKBKBCHUK
SCHEMBL21592719 0.81 MAP4K1 (0.63) MAP4K1TNIKAXLMERTKMAP3K11
SCHEMBL21592590 0.81 MAP4K1 (0.61) MAP4K1TNIKAXLMERTK
SCHEMBL21592514 0.79 MAP4K1 (0.63) MAP4K1TNIKAXLMERTKJAK3
SCHEMBL21592591 0.79 MAP4K1 (0.53) MAP4K1AXLMERTKABL1FLT3
SCHEMBL21592700 0.79 MAP4K1 (0.73) MAP4K1

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-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
WO-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed