SCHEMBL19616876

SCHEMBL19616876

Clc1ccc2[nH]nc(C3CCCCO3)c2c1Br

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKAB2 O43741 2/20 0.32
▸ PRKAG1 P54619 2/20 0.32
▸ PRKAA2 P54646 2/20 0.32
▸ PRKAA1 Q13131 2/20 0.32
▸ PRKAG3 Q9UGI9 2/20 0.32
▸ PRKAG2 Q9UGJ0 2/20 0.32
▸ PRKAB1 Q9Y478 2/20 0.32

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
SCHEMBL19616582 0.85 MAPK8 (0.30) —
SCHEMBL3402451 0.82 GAA (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL19616692 0.81 — —
SCHEMBL19616539 0.81 CHUK (0.36) —
SCHEMBL19616623 0.81 MAPK8 (0.33) —
SCHEMBL31586483 0.74 GAA (0.38) —
SCHEMBL14721720 0.72 PRKAG1 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16880685 0.72 PRKAB2 (0.33) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL16881050 0.72 PRMT5 (0.32) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL31190772 0.71 PIM1 (0.33) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3710439-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2020-09-23 — — EP disclosed
EP-3458445-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2019-03-27 — — EP disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 — — WO disclosed
Send feedback