SCHEMBL23085558

SCHEMBL23085558

C#Cc1ccc2c(c1)N(C)C(=O)CCO2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.41
▸ GABRA5 P31644 3/20 0.41
▸ GABRA2 P47869 3/20 0.41
▸ GABRB2 P47870 3/20 0.41
▸ GABRA3 P34903 2/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ RIPK1 Q13546 4/20 0.39
▸ PDE3B Q13370 2/20 0.38
▸ PDE3A Q14432 2/20 0.38
▸ MAP3K14 Q99558 7/20 0.35
▸ KRAS P01116 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ SLC6A4 P31645 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32

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
SCHEMBL23085749 0.81 MAP3K14 (0.37) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL23081626 0.81 MAP3K14 (0.46) RIPK1MAP3K14
SCHEMBL25586411 0.80 GRM5 (0.40) RIPK1PDE3BPDE3AMAP3K14GRM5
SCHEMBL23085715 0.79 RIPK1 (0.45) RIPK1PDE3BPDE3AMAP3K14GRM5
SCHEMBL22590505 0.79 MAP3K14 (0.57) RIPK1MAP3K14
SCHEMBL15964515 0.78 PDE3B (0.43) GABRA1GABRA5GABRA2GABRB2GABRA3
SCHEMBL12713588 0.78 KMO (0.46) PDE3BPDE3A
SCHEMBL15964655 0.78 TRPV1 (0.44) PDE3BPDE3AKRASSOS1TRPV1
SCHEMBL23085596 0.77 RIPK1 (0.46) RIPK1MAP3K14GRM5
SCHEMBL23085717 0.77 RIPK1 (0.46) RIPK1MAP3K14

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-4248975-A2 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2023-09-27 — — EP disclosed
WO-2021046407-A1 RIP1 INHIBITORY COMPOUNDS AND METHODS FOR MAKING AND USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2021-03-11 — — WO disclosed
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