SCHEMBL13768976

SCHEMBL13768976

Nc1ccc(N2CCC(N)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.46
▸ HTR3E A5X5Y0 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTR3B O95264 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ HTR3A P46098 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ HTR3D Q70Z44 1/20 0.42
▸ HTR3C Q8WXA8 1/20 0.42
▸ CHRNB2 P17787 3/20 0.41
▸ CHRNA4 P43681 3/20 0.41
▸ CKS1B P61024 1/20 0.41
▸ SKP1 P63208 1/20 0.41
▸ SKP2 Q13309 1/20 0.41
▸ PIM1 P11309 1/20 0.40
▸ MAPT P10636 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
SCHEMBL21698694 0.91 CCNC (0.45) HRH3CHRNB2CHRNA4CCNCCDK8
SCHEMBL18291319 0.89 MAPT (0.48) CHRNB2CHRNA4MAPTGCKCHRNB4
SCHEMBL619825 0.84 MAPT (0.49) CHRNB2CHRNA4MAPTPTPN11GCK
SCHEMBL2824069 0.84 USP2 (0.46) MEN1TSHRKMT2ACHRNB2CHRNA4
SCHEMBL29891246 0.84 MAPT (0.49) CHRNB2CHRNA4MAPTPTPN11GCK
SCHEMBL20037704 0.82 CHRNB2 (0.40) HRH3CHRNB2CHRNA4MAPTCCNC
SCHEMBL2687238 0.82 ACVR1 (0.44) HRH3HTR3EMEN1HTR3BCYP1A2
SCHEMBL23634070 0.81 PIK3CA (0.43) HRH3CHRNB2CHRNA4MAPTGCK
SCHEMBL30664069 0.81 PIK3CA (0.51) CHRNB2CHRNA4MAPTGCK
SCHEMBL21245620 0.81 PIK3CA (0.51) CHRNB2CHRNA4MAPTGCK

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-2009085185-A1 FUSED PYRIDINE, PYRIMIDINE AND TRIAZINE COMPOUNDS AS CELL CYCLE INHIBITORS AMGEN INC. (US) 2009-07-09 — — WO disclosed
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