SCHEMBL5885583

SCHEMBL5885583

Cc1nc2c[c]ccc2n1CCO

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
LMNA P02545 3/20 0.40
TNF P01375 1/20 0.40
PKM P14618 1/20 0.38
HTT P42858 2/20 0.38
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GALR3 O60755 3/20 0.37
NR2F2 P24468 3/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPC1 O15118 1/20 0.35

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
SCHEMBL14800502 0.82 KDM4E (0.51) KMT2ALMNATNFPKMHTT
SCHEMBL699050 0.81 RAB9A (0.39) KMT2ALMNATNFPKMHTT
SCHEMBL693236 0.77 CSNK1E (0.41) KMT2ALMNATNFHTTTSHR
SCHEMBL1520226 0.77 KMT2A (0.62) KMT2ALMNATNFPKMHTT
SCHEMBL315552 0.76 KDM4E (0.46) KMT2ALMNAHTTTP53KDM4E
SCHEMBL3610430 0.76 CNR2 (0.46) LMNATNFGALR3NR2F2RAB9A
SCHEMBL12082609 0.74 KMT2A (0.72) KMT2AHTTTSHRKDM4ERAB9A
SCHEMBL9691244 0.73 KMT2A (0.57) KMT2ALMNATP53KDM4ERAB9A
SCHEMBL3483348 0.73 ALDH1A1 (0.43) KMT2ALMNAPKMHTTTSHR
SCHEMBL7260548 0.72 KMT2A (1.00) KMT2AHTTKDM4EGALR3NR2F2

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
US-7115617-B2 Amino-substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
US-6939874-B2 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. (US) 2005-09-06 US disclosed
EP-1427421-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS Amgen Inc. (US) 2004-06-16 EP disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed