SCHEMBL21592974

SCHEMBL21592974

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CC6(COC6)C5)cc4)c3c2)cc(C)c1N1CCN(CCO)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.56
MAP3K11 Q16584 6/20 0.48
MAP3K9 P80192 1/20 0.45
NTRK1 P04629 2/20 0.44
TNIK Q9UKE5 6/20 0.41
CAMKK2 Q96RR4 1/20 0.41
SGK1 O00141 1/20 0.41

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
SCHEMBL24723493 0.92 MAP4K1 (0.63) MAP4K1MAP3K11NTRK1TNIKCAMKK2
SCHEMBL21592972 0.89 MAP4K1 (0.59) MAP4K1MAP3K11MAP3K9NTRK1TNIK
SCHEMBL21592901 0.87 MAP4K1 (0.75) MAP4K1MAP3K11NTRK1TNIKCAMKK2
SCHEMBL21592959 0.87 MAP4K1 (0.47) MAP4K1MAP3K11
SCHEMBL21592914 0.86 MAP4K1 (0.65) MAP4K1MAP3K11MAP3K9NTRK1TNIK
SCHEMBL21592715 0.86 MAP4K1 (0.56) MAP4K1MAP3K11TNIK
SCHEMBL21592776 0.85 MAP4K1 (0.65) MAP4K1MAP3K11TNIKCAMKK2SGK1
SCHEMBL21592867 0.84 MAP4K1 (0.78) MAP4K1MAP3K11MAP3K9TNIKCAMKK2
SCHEMBL21592568 0.84 MAP4K1 (0.56) MAP4K1MAP3K11NTRK1TNIKCAMKK2
SCHEMBL21592792 0.83 MAP4K1 (0.53) MAP4K1MAP3K11TNIK

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