SCHEMBL3433382

SCHEMBL3433382

CCOC(=O)c1c(C)nc2c(c(N3CCN(CC=Cc4ccccc4)CC3)nc(=O)n2-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
HTT P42858 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
SCHEMBL3433379 1.00 MAPT (0.46) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13014262 0.83 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL13013024 0.75 USP2 (0.44) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3434852 0.74 CACNA1B (0.46) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL3434850 0.74 CACNA1B (0.46) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13014213 0.73 MAPT (0.54) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13014211 0.73 ALDH1A1 (0.53) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL13013968 0.72 MAPT (0.48) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL13014413 0.72 ALDH1A1 (0.57) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9976406 0.72 ALDH1A1 (0.54) MAPTALDH1A1MEN1KMT2ALMNA

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-2266984-A1 Pyrido[2,3-d]pyrimidines as Wnt antagonists for treatment of cancer and arthritis Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2010-12-29 EP disclosed