SCHEMBL22827019

SCHEMBL22827019

CC1(n2cc3c(NC(=O)c4cccc5c4CCC5(F)F)ncnc3cc2=O)CC1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 20/20 0.68
▸ SOS1 Q07889 20/20 0.68

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
SCHEMBL25019491 0.82 KRAS (0.69) KRASSOS1
SCHEMBL21132935 0.81 KRAS (1.00) KRASSOS1
SCHEMBL22827502 0.81 KRAS (1.00) KRASSOS1
SCHEMBL22886898 0.81 KRAS (1.00) KRASSOS1
SCHEMBL25019960 0.71 KRAS (0.83) KRASSOS1
SCHEMBL25019962 0.71 KRAS (0.70) KRASSOS1
SCHEMBL26806875 0.71 KRAS (1.00) KRASSOS1
SCHEMBL22827568 0.71 KRAS (0.82) KRASSOS1
SCHEMBL22886913 0.71 KRAS (1.00) KRASSOS1
SCHEMBL21132674 0.70 KRAS (1.00) KRASSOS1

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-4219493-A1 BENZYLAMINO SUBSTITUTED PYRIDOPYRIMIDINONES AND DERIVATIVES AS SOS1 INHIBITORS Boehringer Ingelheim International GmbH (DE) 2023-08-02 — — EP disclosed
WO-2020254451-A1 ANTICANCER COMBINATION THERAPY BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-12-24 — — WO disclosed
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