SCHEMBL22720294

SCHEMBL22720294

C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc(Br)c2C)CC1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KRAS P01116 20/20 0.56
SOS1 Q07889 2/20 0.43

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
SCHEMBL22720296 1.00 KRAS (0.56) KRASSOS1
SCHEMBL22720353 0.89 KRAS (0.44) KRAS
SCHEMBL22720351 0.89 KRAS (0.44) KRAS
SCHEMBL22724618 0.85 KRAS (0.42) KRAS
SCHEMBL22720307 0.85 KRAS (0.42) KRAS
SCHEMBL30957839 0.85 KRAS (0.42) KRAS
SCHEMBL21722172 0.82 KRAS (0.68) KRAS
SCHEMBL21733988 0.82 KRAS (0.68) KRAS
SCHEMBL30178152 0.82 KRAS (0.68) KRAS
SCHEMBL22720222 0.81 KRAS (0.48) KRAS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113396147-B Aromatic heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2024-06-18 CN disclosed
CN-113396147-A Aromatic heterocyclic derivative regulator, preparation method and application thereof 上海翰森生物医药科技有限公司 2021-09-14 CN disclosed
WO-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed
WO-2020239123-A1 AROMATIC HETEROCYCLIC DERIVATIVE MODULATOR AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2020-12-03 WO disclosed