SCHEMBL27807592

SCHEMBL27807592

CC(C)(OC=O)N1CCC(N2CCN(C(=O)c3cccc(Nc4ncc(-c5ccc(OC(F)F)cc5)cn4)c3)CC2=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.43
▸ BTK Q06187 4/20 0.43
▸ CCNT1 O60563 2/20 0.37
▸ CCNE1 P24864 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ ABL1 P00519 2/20 0.35
▸ BCR P11274 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ NTRK1 P04629 3/20 0.34
▸ CAMK1D Q8IU85 1/20 0.34
▸ NTRK3 Q16288 1/20 0.33
▸ NTRK2 Q16620 1/20 0.33

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
SCHEMBL3646314 0.87 EGFR (0.44) EGFRBTKCCNT1CCNE1CDK2
SCHEMBL3653338 0.85 EGFR (0.44) EGFRBTKCCNT1CCNE1CDK2
SCHEMBL27785685 0.74 EGFR (0.46) EGFRBTKCCNT1CCNE1CDK2
SCHEMBL3643667 0.71 ABL1 (0.41) EGFRBTKCDK2ABL1BCR
Tert-Butyl Formate SCHEMBL27789630 0.70 CCNC (0.44) EGFRBTK
SCHEMBL1735407 0.69 CCNT1 (0.48) CCNT1CCNE1CDK2CDK9ABL1
SCHEMBL1734419 0.69 L3MBTL3 (0.53) ABL1BCR
SCHEMBL13605609 0.69 LRRK2 (0.48) ABL1BCR
SCHEMBL13605579 0.68 KMT2A (0.52) ABL1BCRNTRK1NTRK3NTRK2
SCHEMBL1735254 0.68 L3MBTL3 (0.52) ABL1BCR

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
CN-101784530-A 5- (4- (haloalkoxy) phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC 2010-07-21 — — CN claimed
CN-101784530-A 5- (4- (haloalkoxy) phenyl) pyrimidine-2-amine compounds and compositions as kinase inhibitors IRM LLC 2010-07-21 — — CN disclosed
Send feedback