SCHEMBL30991163

SCHEMBL30991163

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 2/20 0.35
▸ SOS1 Q07889 2/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ PNMT P11086 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GLA P06280 1/20 0.33
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ PDE2A O00408 2/20 0.31
▸ HTR2A P28223 1/20 0.30
▸ HTR2C P28335 1/20 0.30
▸ HTR2B P41595 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
SCHEMBL30991164 1.00 KRAS (0.35) KRASSOS1IDO1TDO2CYP1A2
SCHEMBL23412612 0.88 SOS1 (0.43) KRASSOS1IDO1TDO2CYP1A2
SCHEMBL21132649 0.88 SOS1 (0.43) KRASSOS1IDO1TDO2CYP1A2
SCHEMBL29723304 0.88 SOS1 (0.43) KRASSOS1IDO1TDO2CYP1A2
Hydrochloric Acid SCHEMBL29755614 0.86 SOS1 (0.42) KRASSOS1IDO1TDO2CYP1A2
Hydrochloric Acid SCHEMBL25300330 0.86 SOS1 (0.42) KRASSOS1IDO1TDO2CYP1A2
Hydrochloric Acid SCHEMBL23577813 0.86 SOS1 (0.42) KRASSOS1IDO1TDO2CYP1A2
SCHEMBL30991139 0.83 IDO1 (0.37) KRASSOS1IDO1TDO2CYP1A2
SCHEMBL30991093 0.82 SOS1 (0.39) KRASSOS1IDO1TDO2P2RX7
Trifluoroacetic Acid SCHEMBL27094787 0.80 SOS1 (0.41) KRASSOS1IDO1TDO2PDE2A

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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