SCHEMBL31728100

SCHEMBL31728100

Cc1ccn(-c2cc(Br)cnc2N2CCN(C(=O)OC(C)(C)C)CC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ KIT P10721 2/20 0.41
▸ CKS1B P61024 2/20 0.41
▸ SKP1 P63208 2/20 0.41
▸ SKP2 Q13309 2/20 0.41
▸ BACE1 P56817 2/20 0.40
▸ SMPD3 Q9NY59 1/20 0.40
▸ GPR119 Q8TDV5 2/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ NR1H3 Q13133 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SMARCA2 P51531 1/20 0.39
▸ SMARCA4 P51532 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39
▸ FNTA P49354 1/20 0.39

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
SCHEMBL31727089 0.83 CKS1B (0.46) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL31727061 0.83 CKS1B (0.48) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL31727994 0.83 GPR119 (0.44) KITCKS1BSKP1SKP2BACE1
SCHEMBL31727508 0.83 RET (0.41) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL31728296 0.83 GPR119 (0.42) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL29089141 0.82 POLB (0.48) MEN1MAPTTSHRKMT2ASMN1; SMN2
SCHEMBL31727278 0.82 GPR119 (0.44) KITCKS1BSKP1SKP2BACE1
SCHEMBL31727699 0.81 KIT (0.44) KITCKS1BSKP1SKP2BACE1
SCHEMBL31727689 0.81 KIT (0.44) KITCKS1BSKP1SKP2BACE1
SCHEMBL908053 0.81 RET (0.49) MEN1MAPTTSHRKMT2ASMN1; SMN2

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
WO-2025231561-A1 TERTIARY AMINE-SUBSTITUTED BIPYRIDINE COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND THEIR USE AS PHARMACEUTICALS UNIVERSITE DE MONTREAL (CA) 2025-11-13 — — WO disclosed
Send feedback