SCHEMBL6950816

SCHEMBL6950816

CC(C)(C)OC(=O)N1CCN(c2ccc(-c3ccnc(Cl)n3)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RET P07949 9/20 0.54
CKS1B P61024 2/20 0.53
SKP1 P63208 2/20 0.53
SKP2 Q13309 2/20 0.53
PGK1 P00558 1/20 0.52
ADK P55263 1/20 0.51
WNT3A P56704 1/20 0.51
GPR119 Q8TDV5 2/20 0.48
MAP4K4 O95819 1/20 0.48
LRRK2 Q5S007 1/20 0.47
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
TBK1 Q9UHD2 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
SCHEMBL1320120 0.84 GPR119 (0.56) CKS1BSKP1SKP2GPR119MAP4K4
SCHEMBL6787575 0.83 ADK (0.63) RETCKS1BSKP1SKP2PGK1
SCHEMBL16283584 0.81 ADK (0.56) RETCKS1BSKP1SKP2PGK1
SCHEMBL30791110 0.81 ADORA2A (0.53) CKS1BSKP1SKP2GPR119
SCHEMBL20516341 0.81 ADORA2A (0.53) CKS1BSKP1SKP2GPR119
SCHEMBL6788585 0.81 RET (0.55) RETCKS1BSKP1SKP2ADK
SCHEMBL1904170 0.81 ADK (0.59) RETCKS1BSKP1SKP2PGK1
SCHEMBL30893596 0.81 ADK (0.59) RETCKS1BSKP1SKP2PGK1
SCHEMBL3753329 0.81 CKS1B (0.45) CKS1BSKP1SKP2WNT3AGPR119
SCHEMBL6955414 0.80 ZAP70 (0.55) RETCKS1BSKP1SKP2PGK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552029-B1 For therapy of rheumatoid arthritis, psoriasis, graft v. host disease, asthma, atopic dermatitis, allergic rhinitis, allergic conjunctivitis, complications following percutaneous transluminal coronary angioplasty, thrombosis CELLTECH R&D LIMITED (GB) 2003-04-22 US disclosed
EP-0934304-B1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 2003-02-26 EP disclosed
US-6114333-A 2-Pyrimidineamine derivatives and processes for their preparation CELLTECH THERAPEUTICS LTD. (GB) 2000-09-05 US disclosed
US-6093716-A Substituted 2-pyrimidineamines and processes for their preparation CELLTECH THERAPEUTICS, LIMITED (GB) 2000-07-25 US disclosed
EP-0934304-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1999-08-11 EP disclosed
WO-1998018782-A1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LIMITED (GB) 1998-05-07 WO disclosed