SCHEMBL21592876

SCHEMBL21592876

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N(C)C)cc4)c3c2)cc(C)c1N1CCN(CCO)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.58
TNIK Q9UKE5 5/20 0.56
MAP3K11 Q16584 3/20 0.51
MAP3K9 P80192 1/20 0.49
CAMKK2 Q96RR4 3/20 0.46
SGK1 O00141 3/20 0.46
AXL P30530 2/20 0.45

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
SCHEMBL21592566 0.91 MAP4K1 (0.65) MAP4K1TNIKMAP3K11CAMKK2SGK1
SCHEMBL21592546 0.89 MAP4K1 (0.68) MAP4K1TNIKMAP3K11MAP3K9CAMKK2
SCHEMBL21592867 0.86 MAP4K1 (0.78) MAP4K1TNIKMAP3K11MAP3K9CAMKK2
SCHEMBL21592924 0.86 MAP4K1 (0.60) MAP4K1TNIKMAP3K11CAMKK2SGK1
SCHEMBL21592926 0.85 MAP4K1 (0.78) MAP4K1TNIKMAP3K11CAMKK2SGK1
SCHEMBL21592914 0.85 MAP4K1 (0.65) MAP4K1TNIKMAP3K11MAP3K9CAMKK2
SCHEMBL21592972 0.85 MAP4K1 (0.59) MAP4K1TNIKMAP3K11MAP3K9CAMKK2
SCHEMBL21592743 0.85 MAP4K1 (0.56) MAP4K1TNIKMAP3K11AXL
SCHEMBL21592569 0.85 MAP4K1 (0.62) MAP4K1TNIKMAP3K11CAMKK2SGK1
SCHEMBL21592852 0.83 MAP4K1 (0.60) MAP4K1TNIKMAP3K11CAMKK2

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-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