SCHEMBL3789583

SCHEMBL3789583

CCCCNc1ncc2nc(-c3ccc(F)cc3)nnc2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 14/20 0.49
AXL P30530 8/20 0.49
TYRO3 Q06418 6/20 0.43
FLT3 P36888 1/20 0.43
KCNH3 Q9ULD8 1/20 0.41
ACP1 P24666 1/20 0.41
LATS1 O95835 1/20 0.40
LATS2 Q9NRM7 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL3782842 0.88 ALDH1A1 (0.51) MEN1USP2ALDH1A1LMNACYP1A2
SCHEMBL3787718 0.83 MEN1 (0.46) KCNH3MEN1USP2ALDH1A1LMNA
SCHEMBL3793746 0.81 ADORA1 (0.35) MERTKMEN1USP2ALDH1A1LMNA
SCHEMBL3783305 0.80 MEN1 (0.49) KCNH3MEN1USP2ALDH1A1LMNA
SCHEMBL3785163 0.78 KCNH3 (0.40) KCNH3ACP1LATS1LATS2MEN1
SCHEMBL3713217 0.77 KCNH3 (0.41) MERTKAXLTYRO3FLT3KCNH3
SCHEMBL3706380 0.76 KCNH3 (0.42) MERTKAXLKCNH3ACP1
SCHEMBL3781754 0.74 PTGS2 (0.46) MEN1ALDH1A1LMNACYP1A2KMT2A
SCHEMBL3784367 0.74 USP2 (0.51) AXLFLT3KCNH3LATS1MEN1
SCHEMBL13286144 0.73 PTGS2 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO claimed
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed