SCHEMBL11207994

SCHEMBL11207994

COc1cc2nc(N3CCN(c4nc5cccccc-5n4)CC3)nc(N)c2cc1OC

nearest known ligand 0.82

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.68
ADRA1B P35368 1/20 0.68
KDM4E B2RXH2 1/20 0.67
APAF1 O14727 1/20 0.67
ALDH1A1 P00352 1/20 0.67
POLB P06746 1/20 0.67
MAPT P10636 1/20 0.67
HPGD P15428 1/20 0.67
UBE2N P61088 1/20 0.67

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
Hydrochloric Acid SCHEMBL11215640 0.99 ADRA1A (0.67) ADRA1AADRA1BKDM4EAPAF1ALDH1A1
SCHEMBL14095306 0.90 ADRA1A (0.68) ADRA1AADRA1BKDM4EAPAF1ALDH1A1
SCHEMBL31187488 0.89 KDM4E (0.82) ADRA1AADRA1BKDM4EAPAF1ALDH1A1
Hydrochloric Acid SCHEMBL29393496 0.88 POLB (0.80) ADRA1AADRA1BKDM4EAPAF1ALDH1A1
SCHEMBL11213596 0.88 POLB (0.65) ADRA1AADRA1BKDM4EAPAF1ALDH1A1
SCHEMBL11404326 0.87 ADRA1A (0.68) ADRA1AADRA1BKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL11211033 0.87 POLB (0.63) ADRA1AADRA1BKDM4EAPAF1ALDH1A1
SCHEMBL11044249 0.87 ADRA1A (0.61) ADRA1AADRA1B
Water SCHEMBL11048140 0.86 ADRA1A (0.60) ADRA1AADRA1B
Water SCHEMBL11048144 0.86 ADRA1A (0.60) ADRA1AADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4333937-A 2-(Piperazinyl)-4-pyrimioinamines AMERICAN HOME PRODUCTS CORP. (US) 1982-06-08 US claimed
EP-0039190-A1 2-(1-Piperazinyl)-4-pyrimidinamines and related compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-04 EP claimed
WO-1981003022-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PROD (US) 1981-10-29 WO claimed
EP-0056027-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-29 EP claimed
US-4351832-A 2-(Piperazinyl)-4-pyrimidinamines AMERICAN HOME PRODUCTS CORPORATION (US) 1982-09-28 US disclosed
US-4333937-A 2-(Piperazinyl)-4-pyrimioinamines AMERICAN HOME PRODUCTS CORP. (US) 1982-06-08 US disclosed
EP-0039190-A1 2-(1-Piperazinyl)-4-pyrimidinamines and related compounds AMERICAN HOME PRODUCTS CORPORATION (US) 1981-11-04 EP disclosed
WO-1981003022-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PROD (US) 1981-10-29 WO disclosed
EP-0056027-A1 2-(1-PIPERAZINYL)-4-PYRIMIDINAMINES AMERICAN HOME PRODUCTS CORPORATION (US) 1981-10-29 EP disclosed