SCHEMBL29516634

SCHEMBL29516634

OB(O)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLD1 Q13393 1/20 0.49
BPTF Q12830 2/20 0.44
GPR119 Q8TDV5 1/20 0.43
HTR2C P28335 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTR3E A5X5Y0 3/20 0.41
HTR3B O95264 3/20 0.41
HTR3A P46098 3/20 0.41
HTR3D Q70Z44 3/20 0.41
HTR3C Q8WXA8 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
HTR1A P08908 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ADRB1 P08588 2/20 0.41
USP2 O75604 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41

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
SCHEMBL723901 1.00 PLD1 (0.49) PLD1BPTFGPR119HTR2CALDH1A1
SCHEMBL26100489 0.94 CHRNB2 (0.44) PLD1BPTFGPR119HTR2CHRH3
SCHEMBL29377204 0.84 UBE2T (0.51) ALDH1A1KDM4EHSD17B10MEN1HPGD
SCHEMBL676085 0.84 UBE2T (0.51) ALDH1A1KDM4EHSD17B10MEN1HPGD
SCHEMBL29951844 0.83 UBE2T (0.50) ALDH1A1KDM4ECYP1A2HSD17B10HPGD
SCHEMBL3941056 0.83 UBE2T (0.50) ALDH1A1KDM4ECYP1A2HSD17B10HPGD
SCHEMBL29951531 0.83 UBE2T (0.50) ALDH1A1KDM4ECYP1A2HSD17B10HPGD
SCHEMBL31541427 0.80 ALDH1A1 (0.55) ALDH1A1CYP1A2CYP3A4HSD17B10USP2
SCHEMBL2562848 0.80 HTR3A (0.47) ALDH1A1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29586304 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ECYP1A2HSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119912429-A Quinazoline compound with anti-inflammatory activity or pharmaceutically acceptable salt thereof, pharmaceutical composition and application thereof 安徽医科大学 2025-05-02 CN disclosed
CN-114163437-B Substituted pyrazolo [1,5-a ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2025-03-04 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-108349969-B Substituted pyrazolo [1,5-a ] pyridine compounds as RET kinase inhibitors 阵列生物制药公司 2022-05-10 CN disclosed