SCHEMBL4048108

SCHEMBL4048108

c1cc2[nH]cnc2cn1.c1cc2c[nH]nc2cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4A O75164 1/20 0.41
▸ KDM4B O94953 1/20 0.41
▸ KDM5C P41229 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM5B Q9UGL1 1/20 0.41
▸ KDM3A Q9Y4C1 1/20 0.41
▸ QPCT Q16769 1/20 0.37
▸ QPCTL Q9NXS2 1/20 0.37
▸ HASPIN Q8TF76 7/20 0.35
▸ PIM1 P11309 3/20 0.35
▸ AOC2 O75106 1/20 0.34
▸ CDK2 P24941 1/20 0.32
▸ DYRK1A Q13627 1/20 0.32
▸ DYRK1B Q9Y463 1/20 0.32
▸ CCNT1 O60563 3/20 0.32
▸ CDK9 P50750 3/20 0.32
▸ MMP12 P39900 1/20 0.32
▸ PRKCI P41743 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ MAP4K4 O95819 1/20 0.31

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
SCHEMBL67119 0.83 — —
SCHEMBL29602491 0.83 — —
SCHEMBL492397 0.83 — —
SCHEMBL1581621 0.82 QPCT (0.34) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL27982384 0.81 KDM4A (0.53) KDM4AKDM4BKDM5CKDM4CKDM5B
Bromide SCHEMBL4711523 0.81 KDM4A (0.53) KDM4AKDM4BKDM5CKDM4CKDM5B
Hydrochloric Acid SCHEMBL3810977 0.81 PIM1 (0.36) KDM4AKDM4BKDM5CKDM4CKDM5B
Hydrochloric Acid SCHEMBL16162592 0.81 KDM4A (0.53) KDM4AKDM4BKDM5CKDM4CKDM5B
SCHEMBL28675683 0.81 — —
Hydrochloric Acid SCHEMBL2308667 0.81 KDM4A (0.53) KDM4AKDM4BKDM5CKDM4CKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018383-A1 TRIAZOLOPYRAZINE DERIVATIVES USEFUL AS ANTI-CANCER AGENTS Pfizer Products Inc. (US) 2009-01-28 — — EP disclosed
WO-2007132308-A1 TRIAZOLOPYRAZINE DERIVATIVES USEFUL AS ANTI-CANCER AGENTS PFIZER PRODUCTS INC. (US) 2007-11-22 — — WO disclosed
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