SCHEMBL19617838

SCHEMBL19617838

C=C(C(=O)N1CCNCC1)c1ncnc2c1CCNC2

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.30
KDR P35968 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
SCHEMBL19617837 0.85 KDR (0.31) SIGMAR1KDR
SCHEMBL30834492 0.78 MAPT (0.32)
SCHEMBL19617745 0.78
SCHEMBL4984720 0.75 TSHR (0.33) KDR
SCHEMBL19617841 0.74 SMARCA4 (0.33) KDR
SCHEMBL21036409 0.74 CD44 (0.30) KDR
Trifluoroacetic Acid SCHEMBL21003170 0.71 KDR (0.33) KDR
SCHEMBL17298716 0.68 KDM4E (0.33) KDR
SCHEMBL29428699 0.68 KDM4E (0.33) KDR
SCHEMBL21319813 0.68 DRD2 (0.45)

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
CN-111989321-A KRAS G12C inhibitors 米拉蒂治疗股份有限公司 2020-11-24 CN 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