SCHEMBL14021029

SCHEMBL14021029

O=C(Nc1cccc(Cl)c1)c1ccc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMK2D Q13557 3/20 0.71
PLK1 P53350 1/20 0.64
JAK2 O60674 3/20 0.64
ABL1 P00519 10/20 0.63
BCR P11274 10/20 0.63
PDGFRB P09619 7/20 0.63
PDGFRA P16234 7/20 0.63
PRKCA P17252 5/20 0.59
PRKCD Q05655 4/20 0.59
SRC P12931 3/20 0.59
PRKD3 O94806 1/20 0.59
PRKCG P05129 1/20 0.59
PRKCB P05771 1/20 0.59
PRKCH P24723 1/20 0.59
PRKCI P41743 1/20 0.59
PRKCE Q02156 1/20 0.59
PRKCQ Q04759 1/20 0.59
PRKCZ Q05513 1/20 0.59
PRKD1 Q15139 1/20 0.59
ABL2 P42684 1/20 0.58

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
SCHEMBL14021038 0.90 CAMK2D (0.71) CAMK2DJAK2ABL1BCRPDGFRB
SCHEMBL14021028 0.90 PIK3CA (0.64) CAMK2DPLK1JAK2ABL1BCR
SCHEMBL14021044 0.88 PIK3CG (0.64) CAMK2DJAK2ABL1BCRPDGFRB
SCHEMBL9519 0.87 ABL1 (0.74) CAMK2DJAK2ABL1BCRPDGFRB
SCHEMBL14021027 0.86 CAMK2D (0.67) CAMK2DPLK1JAK2ABL1BCR
SCHEMBL14021033 0.86 AURKA (0.62) CAMK2DPLK1JAK2ABL1BCR
SCHEMBL14021026 0.85 PDGFRB (0.63) CAMK2DPLK1JAK2ABL1BCR
SCHEMBL14021032 0.85 PDGFRA (0.62) CAMK2DJAK2ABL1BCRPDGFRB
SCHEMBL4905540 0.84 ABL1 (0.62) CAMK2DPLK1JAK2ABL1BCR
SCHEMBL10208 0.84 ABL1 (0.82) ABL1BCRPDGFRBPDGFRAPRKCA

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-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7442699-B2 Anilinopyrimidine derivatives as IKK inhibitors and compositions and methods related thereto SIGNAL PHARMACEUTICALS, LLC (US) 2008-10-28 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed
US-7429599-B2 Methods for treating or preventing an inflammatory or metabolic condition or inhibiting JNK SIGNAL PHARMACEUTICALS, LLC (US) 2008-09-30 US disclosed