SCHEMBL19616539

SCHEMBL19616539

COc1ccc2[nH]nc(C3CCCCO3)c2c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHUK O15111 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ PRKCB P05771 1/20 0.36
▸ PRKCA P17252 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ PRKCH P24723 1/20 0.36
▸ PRKCI P41743 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ PRKCE Q02156 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ PRKCZ Q05513 1/20 0.36
▸ PRKCD Q05655 1/20 0.36
▸ PRKD1 Q15139 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SLC6A4 P31645 1/20 0.30

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 0.84 MAPK8 (0.30) —
SCHEMBL19616876 0.81 PRKAB2 (0.32) —
SCHEMBL19616623 0.81 MAPK8 (0.33) —
SCHEMBL19616692 0.79 — —
SCHEMBL31586483 0.71 GAA (0.38) PRKD3CSNK2A1PRKCQALDH1A1
SCHEMBL3402451 0.71 GAA (0.44) ALDH1A1
SCHEMBL31190772 0.71 PIM1 (0.33) ALDH1A1
SCHEMBL14721720 0.69 PRKAG1 (0.33) —
SCHEMBL15740705 0.68 PIM1 (0.33) ALDH1A1
SCHEMBL30540792 0.67 RAB9A (0.42) ALDH1A1NPSR1LMNA

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