SCHEMBL9957141

SCHEMBL9957141

Clc1ccnc(-c2cncnc2)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.41
CYP2A6 P11509 2/20 0.41
MAPKAPK2 P49137 1/20 0.40
GRM5 P41594 2/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
IDH1 O75874 1/20 0.38
ABL1 P00519 2/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 0.37
CCR8 P51685 1/20 0.37
BCR P11274 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
ROS1 P08922 1/20 0.36
ATM Q13315 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
CYP1A2 P05177 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
SCHEMBL19786689 0.81 CYP2A6 (0.64) PIM1CYP2A6LOXL2ABL1BCR
SCHEMBL827247 0.78 CCR1 (0.48) PIM1GRM5CCR1CCR5CCR8
SCHEMBL28995952 0.76 ASIC3 (0.60) PIM1CYP2A6MAPKAPK2LOXL2ABL1
SCHEMBL1662224 0.75 ASIC3 (0.59) PIM1CCR1CCR5CCR8
SCHEMBL15947898 0.73 PIM1 (0.57) PIM1MAPKAPK2GRM5
Hydrochloric Acid SCHEMBL15659071 0.72 PIM1 (0.55) PIM1MAPKAPK2GRM5
SCHEMBL29387099 0.72 MAPT (0.47) PIM1MAPKAPK2GRM5ATMPTGS1
SCHEMBL15578128 0.72 MAPT (0.47) PIM1MAPKAPK2GRM5ATMPTGS1
SCHEMBL5700322 0.72 PIK3CG (0.50) PIM1CYP2A6MAPKAPK2CCR1CCR5
SCHEMBL30898561 0.72 ASIC3 (0.50) PIM1MAPKAPK2CCR1CCR5CCR8

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
CN-103261172-B Comprise the electronic installation of pyrimidine compound E.I. Nemours DuPont (US) 2016-05-04 CN disclosed
EP-2655339-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E.I. Du Pont De Nemours And Company (US) 2013-10-30 EP disclosed
US-20130256646-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
US-20130256646-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
US-20130256646-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E I DU PONT DE NEMOURS AND COMPANY (US) 2013-10-03 US disclosed
CN-103261172-A Electronic device including a pyrimidine compound DU PONT 2013-08-21 CN disclosed
WO-2012088192-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed
WO-2012088192-A1 ELECTRONIC DEVICE INCLUDING A PYRIMIDINE COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed