SCHEMBL30991093

SCHEMBL30991093

[2H]C([2H])([2H])[C@@H](N)c1cccc(C(F)(F)CO)c1F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 5/20 0.39
▸ KRAS P01116 4/20 0.39
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ PDE2A O00408 1/20 0.31
▸ P2RX7 Q99572 1/20 0.30
▸ CFD P00746 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
SCHEMBL29723304 0.91 SOS1 (0.43) SOS1KRASIDO1TDO2PDE2A
SCHEMBL21132649 0.91 SOS1 (0.43) SOS1KRASIDO1TDO2PDE2A
SCHEMBL23412612 0.91 SOS1 (0.43) SOS1KRASIDO1TDO2PDE2A
Hydrochloric Acid SCHEMBL25300330 0.89 SOS1 (0.42) SOS1KRASIDO1TDO2PDE2A
Hydrochloric Acid SCHEMBL23577813 0.89 SOS1 (0.42) SOS1KRASIDO1TDO2PDE2A
Hydrochloric Acid SCHEMBL29755614 0.89 SOS1 (0.42) SOS1KRASIDO1TDO2PDE2A
SCHEMBL30991137 0.85 SOS1 (0.41) SOS1KRASIDO1TDO2PDE2A
Trifluoroacetic Acid SCHEMBL27094787 0.83 SOS1 (0.41) SOS1KRASIDO1TDO2PDE2A
SCHEMBL30991168 0.82 IDO1 (0.49) IDO1TDO2PDE2AP2RX7
SCHEMBL30991163 0.82 KRAS (0.35) SOS1KRASIDO1TDO2PDE2A

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-4667464-A1 AZOLYLPYRIDINE PYRIDAZINONE AMIDE AS SOS1 INHIBITOR Cyrus Therapeutics Inc. (KR) 2025-12-24 — — EP disclosed
WO-2024172632-A1 AZOLYLPYRIDINE PYRIDAZINONE AMIDE AS SOS1 INHIBITOR (주) 사이러스테라퓨틱스 2024-08-22 — — WO disclosed
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