SCHEMBL21592901

SCHEMBL21592901

Cc1cc(-c2cnc3[nH]cc(-c4ccc(C(=O)N5CC6(COC6)C5)cc4)c3c2)cc(C)c1N1CCN(C2CCN(C)CC2)CC1

nearest known ligand 0.75

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 4/20 0.75
MAP3K11 Q16584 5/20 0.47
PIK3CG P48736 6/20 0.43
TNIK Q9UKE5 1/20 0.43
NTRK1 P04629 1/20 0.42
IGF1R P08069 1/20 0.40
CAMKK2 Q96RR4 1/20 0.39
SGK1 O00141 1/20 0.39

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 0.93 MAP4K1 (0.63) MAP4K1MAP3K11PIK3CGTNIKNTRK1
SCHEMBL21592819 0.92 MAP4K1 (0.75) MAP4K1MAP3K11PIK3CGTNIKNTRK1
SCHEMBL21592871 0.91 MAP4K1 (0.63) MAP4K1MAP3K11PIK3CGTNIKNTRK1
SCHEMBL21592904 0.91 MAP4K1 (0.62) MAP4K1MAP3K11TNIK
SCHEMBL21592896 0.90 MAP4K1 (0.79) MAP4K1MAP3K11PIK3CGTNIKNTRK1
SCHEMBL21592812 0.88 MAP4K1 (0.81) MAP4K1MAP3K11PIK3CGTNIKNTRK1
SCHEMBL21592838 0.88 MAP4K1 (0.58) MAP4K1MAP3K11
SCHEMBL21592974 0.87 MAP4K1 (0.56) MAP4K1MAP3K11TNIKNTRK1CAMKK2
SCHEMBL21592715 0.86 MAP4K1 (0.56) MAP4K1MAP3K11TNIK
SCHEMBL21592776 0.86 MAP4K1 (0.65) MAP4K1MAP3K11PIK3CGTNIKIGF1R

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