SCHEMBL28501993

SCHEMBL28501993

CN1CCC(c2ccc(-c3cnc4[nH]cc(-c5ccc(C(=O)C6CN(C)C6)cc5)c4c3)cc2F)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 5/20 0.49
MAP4K1 Q92918 4/20 0.48
IL2 P60568 1/20 0.48
TNIK Q9UKE5 4/20 0.46
IGF1R P08069 2/20 0.45
SGK1 O00141 2/20 0.45
AXL P30530 3/20 0.44
CAMKK2 Q96RR4 2/20 0.44

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
SCHEMBL21592872 0.91 MAP4K1 (0.54) MAP3K11MAP4K1IL2TNIKSGK1
SCHEMBL21593028 0.89 MAP4K1 (0.59) MAP3K11MAP4K1IL2SGK1CAMKK2
SCHEMBL21592788 0.87 MAP4K1 (0.58) MAP3K11MAP4K1IL2TNIKIGF1R
SCHEMBL21592990 0.86 NTRK1 (0.54) MAP3K11MAP4K1IL2TNIKIGF1R
SCHEMBL21592992 0.84 MAP3K11 (0.49) MAP3K11MAP4K1IL2TNIKIGF1R
SCHEMBL28504625 0.83 MAP4K1 (0.53) MAP3K11MAP4K1IL2TNIK
SCHEMBL21592970 0.83 MAP4K1 (0.64) MAP3K11MAP4K1IL2TNIKSGK1
SCHEMBL28600335 0.80 MAP4K1 (0.61) MAP3K11MAP4K1IL2TNIKSGK1
SCHEMBL21592808 0.79 MAP4K1 (0.60) MAP3K11MAP4K1IL2TNIKIGF1R
SCHEMBL21592744 0.79 MAP4K1 (0.66) MAP3K11MAP4K1IL2TNIKSGK1

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
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