SCHEMBL7362984

SCHEMBL7362984

N=C(N)c1ccc2cn[nH]c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 1/20 0.55
PKM P14618 1/20 0.55
HTT P42858 1/20 0.55
KMT2A Q03164 1/20 0.55
NOS1 P29475 2/20 0.50
DYRK1A Q13627 2/20 0.50
METAP2 P50579 2/20 0.50
FGFR1 P11362 2/20 0.49
FGFR2 P21802 1/20 0.49
FGFR3 P22607 1/20 0.49
MAOB P27338 1/20 0.48
PRSS1 P07477 3/20 0.47
F2 P00734 3/20 0.47
TPSAB1 Q15661 3/20 0.47
PLG P00747 2/20 0.47
PLAU P00749 2/20 0.47
F10 P00742 1/20 0.47
PRSS2 P07478 1/20 0.47

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
SCHEMBL29887527 0.82 AR (0.63) KDM4EMEN1MAPTPKMHTT
SCHEMBL475069 0.82 AR (0.63) KDM4EMEN1MAPTPKMHTT
Hydrochloric Acid SCHEMBL6999702 0.81 AR (0.61) KDM4EMEN1MAPTPKMHTT
Hydrochloric Acid SCHEMBL31173861 0.81 AR (0.61) KDM4EMEN1MAPTPKMHTT
SCHEMBL7337800 0.80 MAP4K4 (0.66) DYRK1AMAOBPRSS1F2PLG
SCHEMBL12652750 0.79 MAPT (0.51) KDM4EMEN1MAPTPKMHTT
SCHEMBL4402321 0.79 DYRK1A (0.51) KDM4EMEN1MAPTPKMHTT
SCHEMBL4402322 0.79 MAPT (0.51) KDM4EMEN1MAPTPKMHTT
SCHEMBL7378385 0.79 MAOB (0.55) KDM4EMEN1MAPTPKMHTT
Formic Acid SCHEMBL31513243 0.77 AR (0.57) KDM4EMEN1MAPTPKMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3700934-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2020-09-02 EP disclosed
WO-2019209948-A9 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-01-02 WO disclosed
CN-110099898-A compound and use thereof 优曼尼蒂治疗公司 2019-08-06 CN disclosed
WO-2019018795-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS (US) 2019-01-24 WO disclosed
US-6043257-A ANTICOAGULANT; PYRIDINE SUBSTITUTED INDAZOLE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-03-28 US disclosed
EP-0960102-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN Du Pont Pharmaceuticals Company (US) 1999-12-01 EP disclosed
US-5886191-A ANTICOAGULANTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-03-23 US disclosed
WO-1998001428-A1 AMIDINOINDOLES, AMIDINOAZOLES, AND ANALOGS THEREOF AS INHIBITORS OF FACTOR Xa AND OF THROMBIN DU PONT PHARMACEUTICALS COMPANY (US) 1998-01-15 WO disclosed