SCHEMBL29168349

SCHEMBL29168349

CCn1ccc2c(=O)n(C3CCOCC3)cc(C(=O)Nc3cccc4c3CCC4(F)F)c21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 3/20 0.37
▸ TP53 P04637 2/20 0.37
▸ TYK2 P29597 5/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ P2RX7 Q99572 4/20 0.32
▸ IL1B P01584 3/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CNR1 P21554 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ RAF1 P04049 1/20 0.30
▸ BRAF P15056 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
SCHEMBL29168357 0.82 KRAS (0.36) RXFP1TP53SMN1; SMN2PDE10AKDM4E
SCHEMBL29168452 0.77 LMNA (0.35) RXFP1TP53TYK2
SCHEMBL29168384 0.75 RXFP1 (0.33) RXFP1TP53PDE10AIRAK4
SCHEMBL29168387 0.75 RXFP1 (0.33) RXFP1TP53TYK2IRAK4
SCHEMBL29168410 0.70 KRAS (0.36) SMN1; SMN2PDE10AKDM4EALDH1A1HPGD
SCHEMBL27186231 0.70 KRAS (0.38) P2RX7IL1B
SCHEMBL27186233 0.70 KRAS (0.38) P2RX7IL1B
SCHEMBL29168348 0.69 P2RX7 (0.34) SMN1; SMN2P2RX7IL1BKDM4EALDH1A1
SCHEMBL27186887 0.69 KRAS (0.40) P2RX7IL1B
SCHEMBL27186885 0.69 KRAS (0.40) P2RX7IL1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 — — CN disclosed
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