SCHEMBL19637244

SCHEMBL19637244

CCCCCOc1nc2c(c(N3CCNC(CC#N)C3)n1)CCN(c1cccc3ccccc13)C2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.51
▸ VHL P40337 1/20 0.40
▸ CDK7 P50613 1/20 0.40
▸ CCNH P51946 1/20 0.40
▸ MNAT1 P51948 1/20 0.40
▸ SOS1 Q07889 1/20 0.40

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
SCHEMBL19617159 0.89 KRAS (0.48) KRASVHLCDK7CCNHMNAT1
SCHEMBL19948362 0.88 KRAS (0.51) KRASVHLCDK7CCNHMNAT1
SCHEMBL19948347 0.88 KRAS (0.51) KRASVHLCDK7CCNHMNAT1
SCHEMBL30188783 0.88 KRAS (0.51) KRASVHLCDK7CCNHMNAT1
SCHEMBL28519725 0.86 KRAS (0.51) KRASVHLCDK7CCNHMNAT1
SCHEMBL19616800 0.86 KRAS (0.55) KRASVHLCDK7CCNHMNAT1
SCHEMBL19616796 0.86 KRAS (0.55) KRASVHLCDK7CCNHMNAT1
SCHEMBL25020018 0.86 KRAS (0.42) KRASVHLCDK7CCNHMNAT1
SCHEMBL19636822 0.85 KRAS (0.46) KRASVHLCDK7CCNHMNAT1
SCHEMBL24276561 0.85 KRAS (0.46) KRASVHLCDK7CCNHMNAT1

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
EP-3710439-B1 KRAS G12C INHIBITORS MIRATI THERAPEUTICS INC (US) 2023-02-15 — — EP disclosed
WO-2017201161-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2017-11-23 — — WO disclosed
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