SCHEMBL29168355

SCHEMBL29168355

CC1(n2cc(C(=O)NCCc3cccc4c3CCC4(F)F)c3[nH]ccc3c2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 2/20 0.35
▸ SOS1 Q07889 2/20 0.35
▸ P2RX7 Q99572 14/20 0.33
▸ POLB P06746 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ BRD4 O60885 2/20 0.32
▸ ABCB11 O95342 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ HPGD P15428 1/20 0.31

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
SCHEMBL29168408 0.85 POLB (0.36) KRASSOS1POLBRAB9AHPGD
SCHEMBL29168348 0.82 P2RX7 (0.34) P2RX7BRD4ABCB11BRD2BRD3
SCHEMBL27186284 0.81 KRAS (0.47) KRASSOS1
SCHEMBL27186280 0.81 KRAS (0.47) KRASSOS1
SCHEMBL27186103 0.72 CECR2 (0.36) BRD4
SCHEMBL29168450 0.71 METAP2 (0.34) KRASSOS1P2RX7RAB9ABRD4
SCHEMBL27186295 0.69 PIM3 (0.39) P2RX7BRD4
SCHEMBL30853318 0.69 BTK (0.39) BRD4
SCHEMBL29168383 0.67 KDM4E (0.30) POLBHPGD
SCHEMBL29168357 0.67 KRAS (0.36) KRASSOS1RAB9AHPGD

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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