SCHEMBL21592647

SCHEMBL21592647

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 8/20 0.62
TNIK Q9UKE5 3/20 0.58
MAP3K11 Q16584 3/20 0.54
CYP3A4 P08684 2/20 0.48
HIF1A Q16665 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TSHR P16473 1/20 0.48
IL2 P60568 3/20 0.48
CAMKK2 Q96RR4 2/20 0.48
SGK1 O00141 2/20 0.48
AXL P30530 2/20 0.47

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
SCHEMBL28502217 0.97 MAP4K1 (0.59) MAP4K1TNIKMAP3K11CYP3A4HIF1A
SCHEMBL21592825 0.93 MAP4K1 (0.60) MAP4K1TNIKMAP3K11CYP3A4CAMKK2
SCHEMBL21592622 0.92 MAP4K1 (0.59) MAP4K1TNIKMAP3K11CYP3A4IL2
SCHEMBL21593042 0.92 MAP4K1 (0.59) MAP4K1TNIKMAP3K11CYP3A4CAMKK2
SCHEMBL21593034 0.91 MAP4K1 (0.61) MAP4K1TNIKMAP3K11IL2CAMKK2
SCHEMBL21592665 0.91 MAP4K1 (0.55) MAP4K1TNIKMAP3K11CYP3A4HIF1A
SCHEMBL21592762 0.91 MAP4K1 (0.64) MAP4K1TNIKMAP3K11IL2CAMKK2
SCHEMBL21592894 0.91 MAP4K1 (0.60) MAP4K1TNIKMAP3K11CYP3A4HIF1A
SCHEMBL21592563 0.91 MAP4K1 (0.60) MAP4K1TNIKMAP3K11CYP3A4HIF1A
SCHEMBL21592918 0.91 MAP4K1 (0.65) MAP4K1TNIKMAP3K11IL2CAMKK2

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