SCHEMBL21592835

SCHEMBL21592835

Cc1cc(-c2cnc3[nH]cc(-c4ccc(-n5nncc5C)cc4)c3c2)ccc1N1CCN(C)CC1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 7/20 0.60
IL2 P60568 3/20 0.52
TNIK Q9UKE5 6/20 0.47
MAP3K11 Q16584 5/20 0.46
NTRK1 P04629 1/20 0.45
CAMKK2 Q96RR4 1/20 0.43
IKBKB O14920 1/20 0.43
CHUK O15111 1/20 0.43
ABL1 P00519 1/20 0.43
INSR P06213 1/20 0.43
CDK2 P24941 1/20 0.43
FLT3 P36888 1/20 0.43

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
SCHEMBL21592580 0.91 MAP4K1 (0.51) MAP4K1IL2TNIKMAP3K11CAMKK2
SCHEMBL21592853 0.83 MAP4K1 (0.64) MAP4K1IL2MAP3K11
SCHEMBL28504384 0.83 MAP4K1 (0.66) MAP4K1IL2TNIKMAP3K11NTRK1
SCHEMBL21592600 0.82 MAP3K11 (0.66) MAP4K1IL2TNIKMAP3K11NTRK1
SCHEMBL28502252 0.81 MAP4K1 (0.65) MAP4K1IL2TNIKMAP3K11CAMKK2
SCHEMBL28499901 0.80 MAP4K1 (0.61) MAP4K1IL2TNIKMAP3K11NTRK1
SCHEMBL28511448 0.79 MAP4K1 (0.63) MAP4K1IL2TNIKMAP3K11CAMKK2
SCHEMBL21592647 0.79 MAP4K1 (0.62) MAP4K1IL2TNIKMAP3K11CAMKK2
SCHEMBL21592956 0.79 MAP4K1 (0.60) MAP4K1IL2TNIKMAP3K11NTRK1
SCHEMBL28502014 0.78 MAP4K1 (0.58) MAP4K1IL2TNIKMAP3K11NTRK1

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