SCHEMBL30864141

SCHEMBL30864141

COc1ccc(C(=O)N2CCC3(CCN(CCC4CN(C(=O)OC(C)(C)C)C4)CC3)CC2)cc1N1CCC(=O)NC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 2/20 0.41
▸ CRBN Q96SW2 2/20 0.39
▸ MLKL Q8NB16 1/20 0.39
▸ CYP2D6 P10635 6/20 0.38
▸ USP2 O75604 2/20 0.38
▸ TSHR P16473 3/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ DDB1 Q16531 1/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ KCNH2 Q12809 4/20 0.36
▸ CCR8 P51685 3/20 0.36
▸ TNKS O95271 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ PARP10 Q53GL7 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35

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
SCHEMBL31677340 1.00 SOS1 (0.41) SOS1CRBNMLKLCYP2D6USP2
SCHEMBL30864059 0.92 SOS1 (0.44) SOS1CRBNMLKLCYP2D6USP2
SCHEMBL31677307 0.92 SOS1 (0.44) SOS1CRBNMLKLCYP2D6USP2
SCHEMBL30148829 0.88 CRBN (0.42) SOS1CRBNMLKLCYP2D6USP2
SCHEMBL30863989 0.87 SOS1 (0.42) SOS1CRBNMLKLCYP2D6USP2
SCHEMBL30984835 0.85 SOS1 (0.51) SOS1CRBNMLKLCYP2D6USP2
SCHEMBL31586864 0.85 ACACB (0.47) SOS1CRBNMLKLUSP2TSHR
SCHEMBL30267244 0.84 SOS1 (0.42) SOS1CRBNMLKLCYP2D6USP2
SCHEMBL30874160 0.83 ACACB (0.47) CRBNMLKLDDB1KCNH2PARP1
SCHEMBL31138070 0.83 ROCK2 (0.39) SOS1CRBNMLKLDDB1ROCK2

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-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
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