SCHEMBL23916092

SCHEMBL23916092

C=Cc1ccnc(N2CC3(CCN(C)CC3)C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 2/20 0.42
▸ WNT1 P04628 5/20 0.41
▸ DYRK1A Q13627 5/20 0.41
▸ CLK2 P49760 2/20 0.41
▸ CLK3 P49761 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ ALDH1A1 P00352 10/20 0.40
▸ HSD17B10 Q99714 10/20 0.40
▸ HPGD P15428 8/20 0.40
▸ TSHR P16473 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ HIF1A Q16665 2/20 0.40
▸ CYP3A4 P08684 5/20 0.38
▸ CYP2D6 P10635 5/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C19 P33261 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ RAD52 P43351 1/20 0.36

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
SCHEMBL23048622 0.86 ALDH1A1 (0.43) HRH4WNT1DYRK1ACLK2CLK3
SCHEMBL19546591 0.84 HRH4 (0.56) HRH4ALDH1A1HSD17B10HPGDUSP2
SCHEMBL23048818 0.77 DYRK1A (0.42) HRH4WNT1DYRK1AALDH1A1HSD17B10
SCHEMBL23048624 0.75 DYRK1A (0.39) HRH4WNT1DYRK1AALDH1A1HSD17B10
SCHEMBL19547082 0.73 HRH4 (0.54) HRH4TSHRSMN1; SMN2CYP1A2
SCHEMBL19546944 0.71 OGA (0.40) HRH4ALDH1A1TSHRKDM4EL3MBTL1
SCHEMBL19546973 0.71 HRH3 (0.43) HRH4WNT1DYRK1AGSK3BALDH1A1
SCHEMBL23916232 0.71 HRH4 (0.39) HRH4KDM4ERAD52UBE2NL3MBTL1
SCHEMBL19547056 0.71 HRH4 (0.55) HRH4ALDH1A1HSD17B10CYP2D6CYP1A2
SCHEMBL23916706 0.70 PTPN11 (0.41) HRH4KDM4EHRH3

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
EP-3892276-A1 ISOQUINOLIN-3-YL CARBOXAMIDES AS WNT INHIBITORS BioSplice Therapeutics, Inc. (US) 2021-10-13 — — EP disclosed
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